File: parity.simple1.mol

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file content (16 lines) | stat: -rw-r--r-- 612 bytes parent folder | download | duplicates (8)
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  Marvin  01200921493D          

  6  5  0  0  0  0            999 V2000
   -1.0730   -1.1748    2.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485   -0.8703    1.5877 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5612    0.2484    0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    0.6259   -0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4836   -0.4187    2.3454 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2834   -2.6883    0.5324 I   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
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END