KEGG:C06728  3-Ethylcatechol
  ISISHOST03240423152D 1   1.00000     0.00000  5788
 10 10  0     0  0            999 V2000
   -0.2172    0.4517    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5000    0.0448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9310    0.0310    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2276    1.2793    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5103   -0.7828    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2138    0.4655    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9276   -0.7966    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9448    1.6965    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2034   -1.2034    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2310   -1.1897    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
  2  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
  7  9  2  0     0  0
M  END