KEGG:C02596  Tolylacetonitrile
  ISISHOST03240423062D 1   1.00000     0.00000  2316
 10 10  0     0  0            999 V2000
   -0.0621   -0.3448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0621    0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7207   -0.7276    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5828   -0.7207    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7207    0.7862    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6103    0.8414    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3690   -0.3448    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2345   -0.3448    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3690    0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8828    0.0310    0.0000 N   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  8 10  3  0     0  0
  7  9  1  0     0  0
M  END