KEGG:C00163  Propanoate
  ISISHOST03240423012D 1   1.00000     0.00000   161
  5  4  0     0  0            999 V2000
   -0.2862    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4276   -0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0000   -0.4138    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2862    0.8241    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1414    0.0000    0.0000 C   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
M  END