KEGG:C03198  (S)-4-Hydroxymandelate
  ISISHOST03240423082D 1   1.00000     0.00000  2817
 12 12  0     1  0            999 V2000
    0.6517    0.5655    0.0000 C   0  0  1  0  0  0           0  0  0
    0.0034    0.1897    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3035    0.1931    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6517    1.3172    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0034   -0.5690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6552    0.5655    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3035   -0.5586    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9517    0.5724    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6552   -0.9517    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3035    0.1897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3035   -0.5690    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9552   -0.9414    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  1  6     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  2  0     0  0
  5  9  1  0     0  0
  6 10  2  0     0  0
  9 11  2  0     0  0
 11 12  1  0     0  0
 10 11  1  0     0  0
M  END