KEGG:C00544  Homogentisate
  ISISHOST03240423022D 1   1.00000     0.00000   524
 12 12  0     0  0            999 V2000
   -0.2379    0.1379    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4759   -0.2759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9552   -0.2759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2379    0.9621    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4759   -1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1897    0.1379    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9552   -1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4793    1.3759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2379   -1.5138    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6690   -1.5138    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1931    0.9621    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4793    2.2000    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  7 10  1  0     0  0
  8 11  1  0     0  0
  8 12  2  0     0  0
  7  9  1  0     0  0
M  END