KEGG:C00561  Mandelonitrile
  ISISHOST03240423022D 1   1.00000     0.00000   541
 10 10  0     0  0            999 V2000
   -0.1310    0.0034    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1310    0.7517    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.7793   -0.3724    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5276   -0.3724    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5172    1.1310    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7828    1.1276    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.7793   -1.1310    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5276   -1.1310    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1655    1.5069    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.1310   -1.5138    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  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  4  8  2  0     0  0
  5  9  3  0     0  0
  7 10  2  0     0  0
  8 10  1  0     0  0
M  END