File: methanol.mol

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rdkit 202503.6-3
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file content (16 lines) | stat: -rw-r--r-- 557 bytes parent folder | download | duplicates (4)
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     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.3710    0.0078   -0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.5048   -0.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5201    0.0328    1.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4649    1.0143   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1224   -0.6426   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617    0.0925    0.1182 H   0  0  0  0  0  0  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
M  END