File: github296.mol

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file content (18 lines) | stat: -rw-r--r-- 704 bytes parent folder | download | duplicates (8)
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  Mrv0541 07211416442D          

  7  6  0  0  1  0            999 V2000
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    0.7145   -0.4125    0.0000 S   0  0  1  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
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M  END