File: v3k.cyclization1.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 5 4 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.6878 -2.183 0 3
M  V30 2 C -3.3541 -1.4132 0 2
M  V30 3 O -2.0207 -2.183 0 0
M  V30 4 O -3.3541 0.1268 0 1
M  V30 5 N -4.6878 -3.723 0 4
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 4
M  V30 3 1 2 3
M  V30 4 1 1 5
M  V30 END BOND
M  V30 END CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 5 4 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.0972 -2.1149 0 7
M  V30 2 C 6.4306 -1.3449 0 6
M  V30 3 O 7.7641 -2.1149 0 0
M  V30 4 O 6.4306 0.1948 0 5
M  V30 5 N 5.0972 -3.6547 0 8
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 4
M  V30 3 1 2 3
M  V30 4 1 1 5
M  V30 END BOND
M  V30 END CTAB
M  V30 END REACTANT
M  V30 BEGIN PRODUCT
M  V30 BEGIN CTAB
M  V30 COUNTS 8 8 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 19.6184 -1.8906 0 3
M  V30 2 N 19.6184 -3.4306 0 4
M  V30 3 C 20.9526 -4.2004 0 6
M  V30 4 C 22.2865 -3.4306 0 7
M  V30 5 N 22.2865 -1.8906 0 8
M  V30 6 C 20.9526 -1.1209 0 2
M  V30 7 O 20.9526 0.4191 0 1
M  V30 8 O 20.9526 -5.7404 0 5
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 3
M  V30 2 1 3 4
M  V30 3 1 4 5
M  V30 4 1 5 6
M  V30 5 1 1 2
M  V30 6 2 6 7
M  V30 7 1 1 6
M  V30 8 2 3 8
M  V30 END BOND
M  V30 END CTAB
M  V30 END PRODUCT
M  END