File: combined.mol

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file content (14 lines) | stat: -rw-r--r-- 478 bytes parent folder | download | duplicates (10)
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  Marvin  06021016032D          

  4  3  0  0  0  0            999 V2000
   -0.2208   -2.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4936   -1.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   -2.3127    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.4936   -1.0751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
M  CHG  1   3  -1
M  SUB  1   3   2
M  END