File: ethane.mol

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rdkit 202503.1-5
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file content (20 lines) | stat: -rw-r--r-- 723 bytes parent folder | download | duplicates (4)
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     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -0.7559   -0.0040   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7559    0.0040    0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1297   -0.9664   -0.3736 H   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1568    0.1658    0.9921 H   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1343    0.7826   -0.6713 H   0  0  0  0  0  1  0  0  0  0  0  0
    1.1567   -0.1658   -0.9921 H   0  0  0  0  0  1  0  0  0  0  0  0
    1.1343   -0.7826    0.6713 H   0  0  0  0  0  1  0  0  0  0  0  0
    1.1297    0.9664    0.3736 H   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  1  4  1  0
  1  5  1  0
  2  6  1  0
  2  7  1  0
  2  8  1  0
M  END