KEGG:C00511  Propenoate
  ISISHOST03240423022D 1   1.00000     0.00000   493
  5  4  0     0  0            999 V2000
    0.2621    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3897    0.3759    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2586   -0.7517    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9103    0.3759    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0379    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  2  0     0  0
M  END