KEGG:C06336  3-Sulfocatechol
  ISISHOST03240423142D 1   1.00000     0.00000  5408
 12 12  0     0  0            999 V2000
    0.0621   -0.3069    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0621    0.5103    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7655   -0.7103    0.0000 S   0  0  3  0  0  0           0  0  0
   -0.6414   -0.7034    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6448    0.9207    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7793    0.9276    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6069   -1.2379    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1621   -0.0414    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1897   -1.3103    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3483   -0.3000    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3448    0.5034    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6483    1.7483    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  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  2  0     0  0
  3  9  2  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
 10 11  2  0     0  0
M  END