KEGG:C04469  (+/-)-2-(4'-Isobutylphenyl)propionitrile
  ISISHOST03240423102D 1   1.00000     0.00000  3865
 14 14  0     0  0            999 V2000
    0.2931    0.6931    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6759    0.0448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4552    0.6931    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6690    1.3448    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2966   -0.6034    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8276    0.0414    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4172    1.3483    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.4552   -0.6034    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7897    2.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7931    0.7000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8310   -1.2517    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.5793   -1.2517    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4552   -1.9035    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3310   -1.2517    0.0000 N   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  1  0     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 11 13  1  0     0  0
 12 14  3  0     0  0
  6  8  2  0     0  0
M  END