KEGG:C06679  4-Sulfobenzaldehyde
  ISISHOST03240423152D 1   1.00000     0.00000  5742
 12 12  0     0  0            999 V2000
    0.0414   -0.4483    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6759   -0.0379    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7552   -0.0379    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0414   -1.2759    0.0000 S   0  0  3  0  0  0           0  0  0
   -0.6759    0.7897    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7552    0.7897    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2586   -2.0724    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6724   -1.6862    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7586   -1.6862    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0414    1.2000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0414    2.0241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6724    2.4379    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  2  0     0  0
  6 10  2  0     0  0
M  END