File: aspirineSynthesisWithAttributes.mrv.expected.rxn

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$RXN V3000

      RDKit

M  V30 COUNTS 2 1
M  V30 BEGIN REACTANT
M  V30 BEGIN CTAB
M  V30 COUNTS 10 10 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -10.875200 1.431500 0.000000 0
M  V30 2 C -12.208900 0.661500 0.000000 0
M  V30 3 C -12.208900 -0.878300 0.000000 0
M  V30 4 C -10.875200 -1.648300 0.000000 0
M  V30 5 C -9.541500 -0.878300 0.000000 0
M  V30 6 C -9.541500 0.661500 0.000000 0
M  V30 7 C -8.207700 1.431500 0.000000 0
M  V30 8 O -8.207700 2.971500 0.000000 0
M  V30 9 O -6.874000 0.661500 0.000000 0
M  V30 10 O -8.207700 -1.648300 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 6 7
M  V30 8 2 7 8
M  V30 9 1 7 9
M  V30 10 1 5 10
M  V30 END BOND
M  V30 END CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 7 6 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.791800 1.058000 0.000000 0
M  V30 2 O -1.251800 1.058000 0.000000 0
M  V30 3 C -3.561800 2.391800 0.000000 0
M  V30 4 O -3.561800 -0.275100 0.000000 0
M  V30 5 C -2.791800 -1.608900 0.000000 0
M  V30 6 C -3.561800 -2.942600 0.000000 0
M  V30 7 O -1.251800 -1.608900 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 2 5 7
M  V30 END BOND
M  V30 END CTAB
M  V30 END REACTANT
M  V30 BEGIN PRODUCT
M  V30 BEGIN CTAB
M  V30 COUNTS 13 13 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 8.207700 1.925100 0.000000 0
M  V30 2 C 6.874000 1.155100 0.000000 0
M  V30 3 C 6.874000 -0.384700 0.000000 0
M  V30 4 C 8.207700 -1.154500 0.000000 0
M  V30 5 C 9.541500 -0.384700 0.000000 0
M  V30 6 C 9.541500 1.155100 0.000000 0
M  V30 7 C 10.875200 1.925100 0.000000 0
M  V30 8 O 10.875200 3.465100 0.000000 0
M  V30 9 O 12.208900 1.155100 0.000000 0
M  V30 10 O 10.875200 -1.154900 0.000000 0
M  V30 11 C 10.875000 -2.694900 0.000000 0
M  V30 12 O 9.541300 -3.464900 0.000000 0
M  V30 13 C 12.208700 -3.465100 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 6
M  V30 3 1 2 3
M  V30 4 2 5 6
M  V30 5 2 3 4
M  V30 6 1 4 5
M  V30 7 1 6 7
M  V30 8 2 7 8
M  V30 9 1 7 9
M  V30 10 1 5 10
M  V30 11 1 10 11
M  V30 12 1 11 13
M  V30 13 2 11 12
M  V30 END BOND
M  V30 END CTAB
M  V30 END PRODUCT
M  END