File: github741.v3k.mol

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  Mrv1561 02131605162D

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 3 2 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.375 4.8333 0 0
M  V30 2 BR -3.0413 5.6033 0 0
M  V30 3 Br -5.7087 5.6033 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 END BOND
M  V30 END CTAB
M  END