KEGG:C05582  Homovanillate
  ISISHOST03240423122D 1   1.00000     0.00000  4726
 13 13  0     0  0            999 V2000
    0.8103    0.3862    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1207   -0.8517    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0862    1.6000    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0345    1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2931   -0.8724    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3276    1.5793    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2586    0.3931    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0172    0.3414    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3000   -1.8690    0.0000 O   0  0  0  0  0  0           0  0  0
    3.2586   -1.0207    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4828    1.1000    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.4379    0.3483    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.6690   -2.2310    0.0000 C   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
  9 13  1  0     0  0
  6  8  2  0     0  0
M  END