KEGG:C07100  2,4,5-Trichlorophenoxyacetic acid
  ISISHOST03240423162D 1   1.00000     0.00000  6151
 14 14  0     0  0            999 V2000
   -0.2069    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5103   -0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9241   -0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2034    0.8276    0.0000 O   0  0  0  0  0  0           0  0  0
    0.5103   -1.2414    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2310    0.0000    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.9241   -1.2414    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5138    1.2448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2069   -1.6586    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6448   -1.6586    0.0000 Cl  0  0  0  0  0  0           0  0  0
    0.5172    2.0724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2034   -2.4897    0.0000 Cl  0  0  0  0  0  0           0  0  0
    1.2345    2.4862    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2034    2.4862    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  7 10  1  0     0  0
  8 11  1  0     0  0
  9 12  1  0     0  0
 11 13  1  0     0  0
 11 14  2  0     0  0
  7  9  1  0     0  0
M  END