KEGG:C00417  cis-Aconitate
  ISISHOST03240423022D 1   1.00000     0.00000   406
 12 11  0     0  0            999 V2000
   -0.1310    0.2138    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2448    0.8655    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8793    0.2138    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2448   -0.4345    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9931    0.8655    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2552   -0.4345    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0552   -1.0448    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9931   -0.4310    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3655    0.2138    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3690    1.5138    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.0069   -0.4310    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9966   -1.1035    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