File: parity.simpleH1.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  01200921583D          

  6  5  0  0  0  0            999 V2000
   -1.0166   -1.0569    2.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995   -1.0787    1.4483 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2428   -0.1856    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060   -0.2285   -0.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2235   -2.1109    1.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138   -0.4672    2.3759 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