KEGG:C11702  Tienilic acid
  ISISHOST03240423292D 1   1.00000     0.00000 12833
 20 21  0     0  0            999 V2000
   16.6828   -7.8059    0.0000 C   0  0  0  0  0  0           0  0  0
   17.4015   -7.4047    0.0000 C   0  0  0  0  0  0           0  0  0
   15.9781   -7.3914    0.0000 C   0  0  0  0  0  0           0  0  0
   16.6765   -8.6260    0.0000 C   0  0  0  0  0  0           0  0  0
   17.4077   -6.5849    0.0000 O   0  0  0  0  0  0           0  0  0
   15.2637   -7.7856    0.0000 C   0  0  0  0  0  0           0  0  0
   15.9913   -6.5681    0.0000 Cl  0  0  0  0  0  0           0  0  0
   15.9621   -9.0312    0.0000 C   0  0  0  0  0  0           0  0  0
   15.2539   -8.6125    0.0000 C   0  0  0  0  0  0           0  0  0
   14.5590   -7.3676    0.0000 Cl  0  0  0  0  0  0           0  0  0
   14.5464   -9.0117    0.0000 O   0  0  0  0  0  0           0  0  0
   13.8375   -8.5930    0.0000 C   0  0  0  0  0  0           0  0  0
   13.1231   -8.9872    0.0000 C   0  0  0  0  0  0           0  0  0
   12.4219   -8.5728    0.0000 O   0  0  0  0  0  0           0  0  0
   13.1134   -9.8071    0.0000 O   0  0  0  0  0  0           0  0  0
   18.1286   -7.8323    0.0000 C   0  0  0  0  0  0           0  0  0
   18.2161   -8.6802    0.0000 C   0  0  0  0  0  0           0  0  0
   19.0423   -8.8636    0.0000 C   0  0  0  0  0  0           0  0  0
   19.4698   -8.1323    0.0000 C   0  0  0  0  0  0           0  0  0
   18.9112   -7.4973    0.0000 S   0  0  0  0  0  0           0  0  0
  3  6  2  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  6  9  1  0     0  0
  6 10  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
  8  9  2  0     0  0
  2 16  1  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
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 16  1  0     0  0
M  END