KEGG:C01963  Tolylacetate
  ISISHOST03240423052D 1   1.00000     0.00000  1783
 11 11  0     0  0            999 V2000
   -0.2379    0.2069    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8862   -0.1655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4207   -0.1655    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2379    0.9586    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8862   -0.9241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4207   -0.9241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4103    1.3345    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2379   -1.3069    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0621    0.9621    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4069    2.0862    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2379   -2.0586    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  5  8  1  0     0  0
  7  9  1  0     0  0
  7 10  2  0     0  0
  8 11  1  0     0  0
  6  8  2  0     0  0
M  END