File: small2.mol

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file content (22 lines) | stat: -rw-r--r-- 674 bytes parent folder | download | duplicates (19)
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small.mol


  9  8  0  0  0                 1 V2000
    0.5496   -0.7809    0.0905 C   0  0  0  0  0
   -0.5630   -0.0400    0.1219 C   0  0  0  0  0
   -0.5217    1.4556    0.0773 C   0  0  0  0  0
    0.4757   -1.8781    0.1158 H   0  0  0  0  0
    1.5378   -0.3016    0.0300 H   0  0  0  0  0
   -1.5378   -0.5448    0.1918 H   0  0  0  0  0
   -0.9145    1.8185   -0.8983 H   0  0  0  0  0
    0.5256    1.8113    0.2016 H   0  0  0  0  0
   -1.1436    1.8781    0.8983 H   0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  7  1  0  0  0
  3  8  1  0  0  0
  3  9  1  0  0  0
M  END