File: v3k.cyclization2.rxn

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$RXN V3000

  Marvin       060301100851

M  V30 COUNTS 2 1
M  V30 BEGIN REACTANT
M  V30 BEGIN CTAB
M  V30 COUNTS 2 1 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -3.3288 -0.2333 0 1
M  V30 2 C -3.3367 -1.7733 0 2
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 END BOND
M  V30 END CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 4 3 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.66 0.0778 0 5
M  V30 2 C 3.9937 0.8478 0 3
M  V30 3 C 2.6522 -1.4622 0 6
M  V30 4 C 3.9822 -2.2322 0 4
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 3
M  V30 2 2 1 2
M  V30 3 2 3 4
M  V30 END BOND
M  V30 END CTAB
M  V30 END REACTANT
M  V30 BEGIN PRODUCT
M  V30 BEGIN CTAB
M  V30 COUNTS 6 6 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 16.17 -1.6333 0 1
M  V30 2 C 16.17 -3.1733 0 2
M  V30 3 C 17.4991 -3.9355 0 4
M  V30 4 C 18.8281 -3.1733 0 6
M  V30 5 C 18.8281 -1.6333 0 5
M  V30 6 C 17.4991 -0.8555 0 3
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 6
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 2 4 5
M  V30 6 1 5 6
M  V30 END BOND
M  V30 END CTAB
M  V30 END PRODUCT
M  END