KEGG:C01014  3-Isopropylcatechol
  ISISHOST03240423032D 1   1.00000     0.00000   961
 11 11  0     0  0            999 V2000
   -0.2379   -0.2828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4207    0.1034    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2414   -1.0310    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.8897    0.1034    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4207    0.8586    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0690   -0.2724    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8897   -1.4034    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4069   -1.4069    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8897    0.8586    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2379    1.2345    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0690    1.2379    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  9 10  2  0     0  0
M  END