File: lostStereoAnd.mrv.expected.sdf

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file content (27 lines) | stat: -rw-r--r-- 655 bytes parent folder | download | duplicates (2)
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     RDKit          2D

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 6 5 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 15.587981 -10.575000 0.000000 0
M  V30 2 C 16.887019 -9.787500 0.000000 0
M  V30 3 C 18.186057 -10.575000 0.000000 0
M  V30 4 C 16.887019 -8.325000 0.000000 0
M  V30 5 N 18.186057 -12.075000 0.000000 0
M  V30 6 O 19.485095 -9.825000 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4 CFG=1
M  V30 4 1 3 5 CFG=1
M  V30 5 1 3 6
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 2)
M  V30 MDLV30/STEREL1 ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 END CTAB
M  END