File: AlexRxn.mrv.expected.rxn

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$RXN V3000

      RDKit

M  V30 COUNTS 1 1
M  V30 BEGIN REACTANT
M  V30 BEGIN CTAB
M  V30 COUNTS 7 7 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C 14.039800 -18.000100 0.000000 0
M  V30 2 C 16.635200 -17.999400 0.000000 0
M  V30 3 C 15.340000 -17.250000 0.000000 0
M  V30 4 C 16.635200 -19.500800 0.000000 0
M  V30 5 C 14.039800 -19.507500 0.000000 0
M  V30 6 C 15.343200 -20.250000 0.000000 0
M  V30 7 C 15.340948 -15.750000 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 3 1
M  V30 2 2 4 2
M  V30 3 1 1 5
M  V30 4 1 2 3
M  V30 5 2 5 6
M  V30 6 1 6 4
M  V30 7 1 3 7
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 DAT 0 ATOMS=(2 3 7) FIELDNAME=foo -
M  V30 FIELDDISP="    0.0000    0.0000    DRU   ALL  0       0" -
M  V30 FIELDDATA="bar"
M  V30 END SGROUP
M  V30 END CTAB
M  V30 END REACTANT
M  V30 BEGIN PRODUCT
M  V30 BEGIN CTAB
M  V30 COUNTS 7 7 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 21.614800 -18.000100 0.000000 0
M  V30 2 C 24.210200 -17.999400 0.000000 0
M  V30 3 C 22.915000 -17.250000 0.000000 0
M  V30 4 C 24.210200 -19.500800 0.000000 0
M  V30 5 C 21.614800 -19.507500 0.000000 0
M  V30 6 C 22.918200 -20.250000 0.000000 0
M  V30 7 C 22.915948 -15.750000 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 3 1
M  V30 2 2 4 2
M  V30 3 1 1 5
M  V30 4 1 2 3
M  V30 5 2 5 6
M  V30 6 1 6 4
M  V30 7 1 3 7
M  V30 END BOND
M  V30 END CTAB
M  V30 END PRODUCT
M  END