File: DoubleBondAndChiralRxn.rxn

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$RXN V3000

      Mrv2311  082320231439

M  V30 COUNTS 1 1
M  V30 BEGIN REACTANT
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -11.2737 0.4345 0 0
M  V30 2 C -11.2737 3.5536 0 0 CFG=2
M  V30 3 C -9.9402 1.2048 0 0
M  V30 4 C -12.5828 1.2048 0 0
M  V30 5 C -12.5828 2.776 0 0
M  V30 6 C -9.9402 2.776 0 0
M  V30 7 C -11.2579 -1.1289 0 0
M  V30 8 C -7.2259 -3.5416 0 0
M  V30 9 C -8.6074 -4.3032 0 0
M  V30 10 C -7.2023 -1.9702 0 0
M  V30 11 C -9.9166 -1.9222 0 0
M  V30 12 C -10.1545 4.6726 0 0
M  V30 13 C -9.9402 -3.4935 0 0
M  V30 14 C -8.5594 -1.1605 0 0
M  V30 15 C -8.6311 0.4345 0 0
M  V30 16 C -13.8924 0.4345 0 0
M  V30 17 C -8.6311 -5.8746 0 0
M  V30 18 C -5.8932 -4.3506 0 0
M  V30 19 C -12.3927 4.6726 0 0
M  V30 20 C -5.8452 -1.2079 0 0
M  V30 21 C -9.0438 5.7913 0 0
M  V30 22 C -9.0438 3.5772 0 0
M  V30 23 C -11.2737 5.7913 0 0
M  V30 24 C -5.8215 0.3635 0 0
M  V30 25 C -4.441 1.1252 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 3 1
M  V30 2 1 4 1
M  V30 3 1 2 5
M  V30 4 1 5 4
M  V30 5 1 2 6
M  V30 6 1 6 3
M  V30 7 2 7 1
M  V30 8 2 9 8
M  V30 9 1 8 10
M  V30 10 1 11 7
M  V30 11 1 2 12 CFG=1
M  V30 12 1 9 13
M  V30 13 2 13 11
M  V30 14 2 10 14
M  V30 15 1 14 11
M  V30 16 2 15 3
M  V30 17 2 16 4
M  V30 18 1 17 9
M  V30 19 1 18 8
M  V30 20 1 19 2
M  V30 21 1 20 10
M  V30 22 1 21 12
M  V30 23 1 22 12
M  V30 24 1 23 12
M  V30 25 1 24 20
M  V30 26 1 24 25 CFG=1
M  V30 END BOND
M  V30 END CTAB
M  V30 END REACTANT
M  V30 BEGIN PRODUCT
M  V30 BEGIN CTAB
M  V30 COUNTS 26 27 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 7.0596 0.5179 0 0
M  V30 2 C 7.0596 3.6369 0 0
M  V30 3 C 8.3931 1.2881 0 0
M  V30 4 C 5.7505 1.2881 0 0
M  V30 5 C 5.7505 2.8594 0 0
M  V30 6 C 8.3931 2.8594 0 0
M  V30 7 C 7.0754 -1.0456 0 0
M  V30 8 C 11.1074 -3.4583 0 0
M  V30 9 C 9.7259 -4.2198 0 0
M  V30 10 C 11.131 -1.8869 0 0
M  V30 11 C 8.4168 -1.8389 0 0
M  V30 12 C 8.1789 4.7559 0 0
M  V30 13 C 8.3931 -3.4101 0 0
M  V30 14 C 9.7739 -1.0772 0 0
M  V30 15 C 9.7023 0.5179 0 0
M  V30 16 C 4.441 0.5179 0 0
M  V30 17 C 9.7023 -5.7913 0 0
M  V30 18 Cl 12.4402 -4.2673 0 0
M  V30 19 C 5.9406 4.7559 0 0
M  V30 20 C 12.4882 -1.1246 0 0
M  V30 21 C 9.2895 5.8746 0 0
M  V30 22 C 9.2895 3.6605 0 0
M  V30 23 C 7.0596 5.8746 0 0
M  V30 24 C 12.5118 0.4468 0 0 CFG=2
M  V30 25 C 13.8924 1.2085 0 0
M  V30 26 Cl 11.1916 1.2397 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 3 1
M  V30 2 1 4 1
M  V30 3 1 2 5
M  V30 4 1 5 4
M  V30 5 1 2 6
M  V30 6 1 6 3
M  V30 7 2 7 1
M  V30 8 2 9 8
M  V30 9 1 8 10
M  V30 10 1 11 7
M  V30 11 1 12 2
M  V30 12 1 9 13
M  V30 13 2 13 11
M  V30 14 2 10 14
M  V30 15 1 14 11
M  V30 16 2 15 3
M  V30 17 2 16 4
M  V30 18 1 17 9
M  V30 19 1 19 2
M  V30 20 1 20 10
M  V30 21 1 21 12
M  V30 22 1 22 12
M  V30 23 1 23 12
M  V30 24 1 24 20
M  V30 25 1 24 25 CFG=1
M  V30 26 1 18 8
M  V30 27 1 24 26
M  V30 END BOND
M  V30 END CTAB
M  V30 END PRODUCT
M  END