KEGG:C02236  4-Sulfobenzoate
  ISISHOST03240423062D 1   1.00000     0.00000  2023
 13 13  0     0  0            999 V2000
   -0.0172   -0.6379    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7345   -0.2241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6966   -0.2241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0138   -1.4621    0.0000 S   0  0  3  0  0  0           0  0  0
   -0.7345    0.6000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6966    0.6000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2000   -2.2586    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.7310   -1.8759    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7000   -1.8724    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0172    1.0138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0138    1.8379    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7000    2.2483    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.7310    2.2517    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  2  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  4  9  2  0     0  0
  5 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 11 13  2  0     0  0
  6 10  2  0     0  0
M  END