File: Issue2951221.1.mol

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rdkit 201809.1%2Bdfsg-6
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file content (29 lines) | stat: -rw-r--r-- 1,076 bytes parent folder | download | duplicates (8)
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     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.6686    0.7271    0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    1.7467   -0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2656    1.7746    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7845    2.8497   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6195    0.7822    1.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590   -0.2752    0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6996    0.9204    0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5937    1.1279   -1.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643    1.4818    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0267    1.6228   -0.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4270    3.1691   -1.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9638    3.9041   -0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
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  2  4  1  0
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  1  5  1  0
  1  6  1  0
  1  7  1  0
  2  8  1  0
  2  9  1  0
  3 10  1  0
  4 11  1  0
  4 12  1  0
M  END