File: testRXNChiralityAgentV3000.rxn

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$RXN V3000

      Mrv2311  092820231958

M  V30 COUNTS 1 1 1
M  V30 BEGIN REACTANT
M  V30 BEGIN CTAB
M  V30 COUNTS 6 5 0 0 1
M  V30 BEGIN ATOM
M  V30 1 Br -9.1049 1.6226 0 6
M  V30 2 C -9.1049 0.0826 0 5
M  V30 3 C -10.4387 -0.6874 0 4
M  V30 4 C -11.7724 0.0826 0 1
M  V30 5 C -13.106 -0.6874 0 3
M  V30 6 F -11.7724 1.6226 0 2
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 END BOND
M  V30 END CTAB
M  V30 END REACTANT
M  V30 BEGIN PRODUCT
M  V30 BEGIN CTAB
M  V30 COUNTS 9 8 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 5.1037 0.6876 0 3
M  V30 2 C 6.4375 -0.0824 0 1
M  V30 3 F 6.4375 -1.6224 0 2
M  V30 4 C 7.7712 0.6876 0 4
M  V30 5 C 9.105 -0.0826 0 5
M  V30 6 C 10.4384 0.6874 0 7
M  V30 7 C 11.7722 -0.0826 0 8
M  V30 8 C 13.106 0.6874 0 9
M  V30 9 Cl 11.7722 -1.6226 0 10
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 7 6
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 END BOND
M  V30 END CTAB
M  V30 END PRODUCT
M  V30 BEGIN AGENT
M  V30 BEGIN CTAB
M  V30 COUNTS 5 4 0 0 1
M  V30 BEGIN ATOM
M  V30 1 Cl -1.2708 1.4792 0 0
M  V30 2 C -2.176 2.7251 0 0 CFG=1
M  V30 3 C -3.7076 2.5641 0 0
M  V30 4 C -1.5496 4.1319 0 0
M  V30 5 C -2.4548 5.3778 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 3
M  V30 2 1 2 4
M  V30 3 1 4 5
M  V30 4 1 2 1 CFG=1
M  V30 END BOND
M  V30 END CTAB
M  V30 END AGENT
M  END