KEGG:C01073  N-Acetyl-beta-alanine
  ISISHOST03240423032D 1   1.00000     0.00000  1013
  9  8  0     0  0            999 V2000
   -0.6069    1.1759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6103    0.3310    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0621    1.5241    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2414    1.5828    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0069    0.0241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0103   -0.8103    0.0000 N   0  0  0  0  0  0           0  0  0
    0.5931   -1.1276    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5897   -1.9517    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2345   -0.7448    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  7  9  2  0     0  0
M  END