KEGG:C02341  trans-Aconitate
  ISISHOST03240423062D 1   1.00000     0.00000  2114
 12 11  0     0  0            999 V2000
   -0.2172    0.1241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4345   -0.2517    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2172    0.8759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8655   -0.2517    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4345   -1.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4345    1.2483    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5138    0.1276    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8621   -1.0000    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2172   -1.3724    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0828   -1.3724    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0828    0.8724    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4310    2.0000    0.0000 O   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
  3  6  1  0     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  5 10  2  0     0  0
  6 11  1  0     0  0
  6 12  2  0     0  0
M  END