File: ChiralityAndBondDir1b.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  01040817562D          

  4  3  0  0  0  0            999 V2000
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    0.0895   -0.4313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8039   -0.8438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4939    0.1521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  6  0  0  0
M  END