KEGG:C06672  Vanillate
  ISISHOST03240423152D 1   1.00000     0.00000  5735
 12 12  0     0  0            999 V2000
    0.4759   -0.5517    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4759    0.2759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2379   -0.9621    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1897   -0.9621    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2379    0.6862    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9552   -0.5517    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2379   -1.7862    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1897   -1.7862    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9552    0.2759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2379    1.5138    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4793    1.9241    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9517    1.9241    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
  3  7  1  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
  6  9  2  0     0  0
M  END