File: stereo3d_trans.mol

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rdkit 202503.6-3
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file content (16 lines) | stat: -rw-r--r-- 564 bytes parent folder | download | duplicates (7)
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F/C=C/F
     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.6069   -0.7891   -0.2064 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6394    0.1570   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6446   -0.1554   -0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6123    0.7943   -0.2478 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9543    1.1867   -0.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9436   -1.1935   -0.1175 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