File: Issue2951221.2.mol

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file content (12 lines) | stat: -rw-r--r-- 428 bytes parent folder | download | duplicates (8)
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  Marvin  02141007002D          

  4  3  0  0  0  0            999 V2000
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   -2.0330    1.6795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6205    0.9650    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186    2.0920    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END