KEGG:C04355  1-(3,4-Dimethylphenyl)ethane-1,2-diol
  ISISHOST03240423102D 1   1.00000     0.00000  3774
 12 12  0     0  0            999 V2000
    0.3241   -0.1862    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3207   -0.5586    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3241    0.5621    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9724   -0.5621    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.9724   -0.1897    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3241    0.9414    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6241   -0.1862    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9724   -1.3138    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9724    0.5621    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6207   -0.5655    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6241    0.5621    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.6241    0.9345    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
  4  7  1  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  5 10  1  0     0  0
  7 11  1  0     0  0
  9 12  1  0     0  0
  6  9  1  0     0  0
M  END