File: github1034.1.mol

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rdkit 202009.4-1
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  Mrv1561 08241614192D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 4 3 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -9.8333 0.4583 0 0
M  V30 2 C -8.4933 0.4583 0 0
M  V30 3 C -10.6033 1.792 0 0
M  V30 4 C -7.7233 -0.8753 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4 CFG=2
M  V30 END BOND
M  V30 END CTAB
M  END