File: simple_torsion.kdg.mol

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file content (28 lines) | stat: -rw-r--r-- 1,067 bytes parent folder | download | duplicates (6)
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OCCC seed 42
     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.8772   -0.8302   -0.0243 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9180    0.1277   -0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2334   -0.0375    0.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4952    0.0373   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021   -0.3525    0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6228   -0.0298   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807    1.1624   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2911    0.7835    1.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692   -0.9962    1.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    1.0009   -0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3996   -0.1238    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505   -0.7418   -0.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  1  5  1  0
  2  6  1  0
  2  7  1  0
  3  8  1  0
  3  9  1  0
  4 10  1  0
  4 11  1  0
  4 12  1  0
M  END