KEGG:C01984  (S)-Mandelate
  ISISHOST03240423052D 1   1.00000     0.00000  1800
 11 11  0     1  0            999 V2000
   -0.1759   -0.1000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1793    0.6517    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.8276   -0.4759    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4793   -0.4759    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4690    1.0276    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8310    1.0241    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8276   -1.2345    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4793   -1.2345    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1207    0.6552    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4655    1.7759    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1759   -1.6172    0.0000 C   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  1  0     0  0
  2  6  1  6     0  0
  3  7  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  5 10  2  0     0  0
  7 11  2  0     0  0
  8 11  1  0     0  0
M  END