File: SimpleWiggleDoubleBond.sdf.expected.sdf

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file content (23 lines) | stat: -rw-r--r-- 526 bytes parent folder | download | duplicates (4)
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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 C -5.167400 0.803500 0.000000 0
M  V30 2 C -4.413700 1.139100 0.000000 0
M  V30 3 N -4.413700 1.964100 0.000000 0
M  V30 4 C -3.699200 0.726600 0.000000 0
M  V30 5 C -2.874200 0.726600 0.000000 0
M  V30 6 C -1.987400 -0.087300 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 4
M  V30 3 2 4 5
M  V30 4 1 5 6 CFG=2
M  V30 5 1 2 3
M  V30 END BOND
M  V30 END CTAB
M  END