KEGG:C01161  3,4-Dihydroxyphenylacetate
  ISISHOST03240423032D 1   1.00000     0.00000  1090
 12 12  0     0  0            999 V2000
   -0.2379    0.2793    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4828    0.6897    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2448   -0.5483    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9517    0.7000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2000    0.2690    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4724   -0.9690    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6724    0.2862    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1931   -0.5621    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9172    0.6724    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.3862    0.7103    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.6793   -0.5414    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9069   -0.9828    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
  5  8  1  0     0  0
  5  9  1  0     0  0
  7 10  1  0     0  0
  7 11  2  0     0  0
  8 12  1  0     0  0
  6  8  2  0     0  0
M  END