File: v3k.6b.mol

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  Marvin  06110906262D          

  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 -5.775 6.325 0 0
M  V30 2 C -4.4413 7.095 0 0
M  V30 3 C -3.1076 6.325 0 0
M  V30 4 C -7.1087 7.095 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2 CFG=2
M  V30 2 1 2 3
M  V30 3 1 1 4
M  V30 END BOND
M  V30 END CTAB
M  END