File: github2040_1.mol

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  Mrv1805 09141811042D

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 5 3 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -8.4163 0.715 0 0
M  V30 2 Fe -8.4163 -1.595 0 0
M  V30 3 C -9.75 0.4583 0 0
M  V30 4 C -8.4163 1.2283 0 0
M  V30 5 C -7.0826 0.4583 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2 ENDPTS=(3 5 4 3) ATTACH=ANY
M  V30 2 4 4 5
M  V30 3 4 3 4
M  V30 END BOND
M  V30 END CTAB
M  END