KEGG:C02512  3-Cyano-L-alanine
  ISISHOST03240423062D 1   1.00000     0.00000  2248
  8  7  0     1  0            999 V2000
    0.1448   -0.0655    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.4931    0.3483    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8621    0.1793    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1379   -0.8034    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.1621    0.0069    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4759   -0.2552    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8621    0.9276    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8310   -0.3345    0.0000 N   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  1     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  2  0     0  0
  5  8  3  0     0  0
M  END