File: DativeBond.mrv.expected.sdf

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file content (23 lines) | stat: -rw-r--r-- 536 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 Mg -11.286700 0.847400 0.000000 0 VAL=3
M  V30 2 Cl -12.056700 2.181100 0.000000 0
M  V30 3 Cl -9.746700 0.847400 0.000000 0
M  V30 4 C -11.543400 -2.264500 0.000000 0
M  V30 5 C -12.313400 -0.930800 0.000000 0
M  V30 6 C -13.853400 -0.930800 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 4 5
M  V30 4 1 5 6
M  V30 5 9 5 1
M  V30 END BOND
M  V30 END CTAB
M  END