KEGG:C05527  3-Sulfinylpyruvate
  ISISHOST03240423122D 1   1.00000     0.00000  4684
  9  8  0     0  0            999 V2000
   -1.0828   -0.1207    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0793    1.2931    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0862   -1.5379    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3345   -0.1207    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7000    1.6621    0.0000 S   0  0  3  0  0  0           0  0  0
   -2.3172   -2.2414    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1379   -2.2517    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6965    3.0724    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6965    0.2483    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  2  0     0  0
  5  9  2  0     0  0
M  END