File: acetone.mol

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rdkit 202503.1-5
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file content (12 lines) | stat: -rw-r--r-- 391 bytes parent folder | download | duplicates (2) 
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     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.0121    0.0021    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1926   -0.2084   -0.0633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501   -0.8149    0.0408 H   0  0  0  0  0  1  0  0  0  0  0  0
   -0.4303    1.0212    0.0218 H   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  1  4  1  0
M  END