KEGG:C05580  3,4-Dihydroxymandelate
  ISISHOST03240423122D 1   1.00000     0.00000  4724
 13 13  0     0  0            999 V2000
    0.2414    0.0448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4862   -1.1690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4448    1.2828    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6586    0.0483    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.9000   -1.1483    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8586    1.3035    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0724    0.0483    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6517    1.4655    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.5862    0.0862    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.9069   -2.1483    0.0000 O   0  0  0  0  0  0           0  0  0
    3.7828   -1.1759    0.0000 O   0  0  0  0  0  0           0  0  0
    3.7828    1.2759    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.0069    0.0862    0.0000 O   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  2  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  1  0     0  0
  7 11  1  0     0  0
  7 12  2  0     0  0
  9 13  1  0     0  0
  6  9  2  0     0  0
M  END