File: stereo3d_cis.mol

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rdkit 202009.4-1
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file content (16 lines) | stat: -rw-r--r-- 565 bytes parent folder | download | duplicates (5)
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F/C=C\\F
     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.4012    1.0448    0.1513 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6593   -0.0735   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657   -0.0814    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3195    1.0930    0.2591 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1813   -0.9951   -0.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2567   -0.9878   -0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  2  5  1  0
  3  6  1  0
M  END