KEGG:C04264  S-(4-Bromophenyl)-mercaptopyruvate
  ISISHOST03240423102D 1   1.00000     0.00000  3695
 14 14  0     0  0            999 V2000
    1.3448    0.5207    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9931    0.1448    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6931    0.1448    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3448    1.2690    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9897   -0.6069    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6414    0.5207    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0448    0.5172    0.0000 S   0  0  0  0  0  0           0  0  0
   -0.6000    0.1345    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2517    0.5069    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5897   -0.6207    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9069    0.1207    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2414   -1.0069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9069   -0.6345    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5552   -1.0138    0.0000 Br  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
  2  6  2  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  8 10  1  0     0  0
  9 11  1  0     0  0
 10 12  2  0     0  0
 11 13  2  0     0  0
 13 14  1  0     0  0
 12 13  1  0     0  0
M  END