KEGG:C00490  Itaconate
  ISISHOST03240423022D 1   1.00000     0.00000   472
  9  8  0     0  0            999 V2000
   -0.5034    0.2931    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5034   -0.4586    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1448    0.6655    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1552    0.6655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1448   -0.8345    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7931    0.2897    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1414    1.4172    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1414   -1.5828    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7931   -0.4552    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
  3  6  1  0     0  0
  3  7  2  0     0  0
  5  8  1  0     0  0
  5  9  2  0     0  0
M  END