KEGG:C05727  Mercapturonate
  ISISHOST03240423132D 1   1.00000     0.00000  4848
 11 10  0     0  0            999 V2000
   -0.1448    0.8517    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.5966   -0.7310    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.0690    1.8517    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2172    0.8034    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5621   -1.8897    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4379    1.8517    0.0000 S   0  0  0  0  0  0           0  0  0
    1.8517   -0.4034    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9414    1.9621    0.0000 O   0  0  0  0  0  0           0  0  0
    2.2000   -1.8897    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2586   -3.3069    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.2655    0.9069    0.0000 R   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  5 10  2  0     0  0
  6 11  1  0     0  0
M  END