File: ethanol.mol

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file content (22 lines) | stat: -rw-r--r-- 806 bytes parent folder | download | duplicates (4)
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     RDKit          3D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -0.9024    0.0481    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5429   -0.3442    0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428    0.1039   -0.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0006    1.1358   -0.0457 H   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2733   -0.3731   -0.9081 H   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5350   -0.3046    0.8515 H   0  0  0  0  0  1  0  0  0  0  0  0
    0.6383   -1.4318    0.3261 H   0  0  0  0  0  1  0  0  0  0  0  0
    0.9284    0.0943    1.1838 H   0  0  0  0  0  1  0  0  0  0  0  0
    1.2590    1.0716   -0.8719 H   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  1  4  1  0
  1  5  1  0
  1  6  1  0
  2  7  1  0
  2  8  1  0
  3  9  1  0
M  END