File: alias.mol

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file content (25 lines) | stat: -rw-r--r-- 656 bytes parent folder | download | duplicates (8)
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Nitrobenzoic acid
 OpenBabel10240915282D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 *   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 *   0  0  0  0  0
  1  2  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
A    1
NO2
A    8
COOH
M  END