File: Issue3392107.1.mol

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file content (19 lines) | stat: -rw-r--r-- 688 bytes parent folder | download | duplicates (10)
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Row0
  Mrv0540 08161105372D          

  6  6  2  0  0  0            999 V2000
   -9.2518   -1.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9663   -2.1803    0.0000 L   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9663   -3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2518   -3.4179    0.0000 L   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5373   -3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5373   -2.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
M  ALS   2  2 F C   N   
M  ALS   4  2 F C   N   
M  END