COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -8.291  -1.999   1.801  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.611  -2.205   1.414  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.793  -1.095   1.283  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.363   0.286   1.477  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.163   0.655   0.302  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.736   1.999   0.456  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.548   2.342  -0.766  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.893   2.026  -0.813  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.638   2.341  -1.934  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.038   2.972  -3.008  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.693   3.289  -2.961  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.949   2.978  -1.838  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.457  -1.252   0.977  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.094  -3.478   1.242  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.761  -3.649   0.935  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.931  -2.533   0.797  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.545  -2.703   0.478  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.409  -2.842   0.217  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.023  -3.012  -0.102  1.00  0.00           C  
HETATM   20  C   UNL     1       0.808  -1.898  -0.229  1.00  0.00           C  
HETATM   21  C   UNL     1       0.504  -4.295  -0.282  1.00  0.00           C  
HETATM   22 CL   UNL     1      -0.524  -5.685  -0.119  1.00  0.00          Cl  
HETATM   23  C   UNL     1       1.841  -4.457  -0.589  1.00  0.00           C  
HETATM   24  C   UNL     1       2.664  -3.356  -0.720  1.00  0.00           C  
HETATM   25  C   UNL     1       2.152  -2.072  -0.538  1.00  0.00           C  
HETATM   26  C   UNL     1       3.041  -0.891  -0.676  1.00  0.00           C  
HETATM   27  N   UNL     1       2.701   0.287  -1.160  1.00  0.00           N  
HETATM   28  C   UNL     1       4.392  -0.828  -0.308  1.00  0.00           C  
HETATM   29  C   UNL     1       5.240  -1.915   0.306  1.00  0.00           C  
HETATM   30  N   UNL     1       6.641  -1.457   0.260  1.00  0.00           N  
HETATM   31  S   UNL     1       7.853  -2.479  -0.215  1.00  0.00           S  
HETATM   32  O   UNL     1       9.014  -1.967   0.425  1.00  0.00           O  
HETATM   33  O   UNL     1       7.359  -3.775   0.092  1.00  0.00           O  
HETATM   34  C   UNL     1       7.963  -2.248  -2.011  1.00  0.00           C  
HETATM   35  C   UNL     1       6.933  -0.068   0.646  1.00  0.00           C  
HETATM   36  C   UNL     1       6.262   0.884  -0.351  1.00  0.00           C  
HETATM   37  C   UNL     1       4.849   0.416  -0.595  1.00  0.00           C  
HETATM   38  N   UNL     1       3.826   1.122  -1.110  1.00  0.00           N  
HETATM   39  C   UNL     1       3.880   2.519  -1.550  1.00  0.00           C  
HETATM   40  C   UNL     1       3.522   3.436  -0.379  1.00  0.00           C  
HETATM   41  C   UNL     1       3.579   4.895  -0.838  1.00  0.00           C  
HETATM   42  N   UNL     1       3.234   5.775   0.286  1.00  0.00           N  
HETATM   43  C   UNL     1       3.046   7.161  -0.169  1.00  0.00           C  
HETATM   44  C   UNL     1       2.631   8.031   1.020  1.00  0.00           C  
HETATM   45  O   UNL     1       3.621   7.928   2.048  1.00  0.00           O  
HETATM   46  C   UNL     1       3.829   6.592   2.515  1.00  0.00           C  
HETATM   47  C   UNL     1       4.256   5.708   1.340  1.00  0.00           C  
HETATM   48  H   UNL     1      -6.995   0.297   2.365  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.549   1.001   1.602  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.615   0.590  -0.543  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.378   2.022   1.337  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.932   2.726   0.574  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.362   1.533   0.026  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.689   2.093  -1.972  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.620   3.217  -3.884  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.224   3.781  -3.800  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.900   3.229  -1.799  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.820  -0.385   0.875  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.737  -4.340   1.349  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.359  -4.642   0.802  1.00  0.00           H  
HETATM   61  H   UNL     1       0.408  -0.904  -0.088  1.00  0.00           H  
HETATM   62  H   UNL     1       2.244  -5.450  -0.727  1.00  0.00           H  
HETATM   63  H   UNL     1       3.708  -3.490  -0.959  1.00  0.00           H  
HETATM   64  H   UNL     1       4.939  -2.082   1.340  1.00  0.00           H  
HETATM   65  H   UNL     1       5.133  -2.837  -0.265  1.00  0.00           H  
HETATM   66  H   UNL     1       8.199  -1.207  -2.230  1.00  0.00           H  
HETATM   67  H   UNL     1       8.746  -2.891  -2.413  1.00  0.00           H  
HETATM   68  H   UNL     1       7.008  -2.508  -2.470  1.00  0.00           H  
HETATM   69  H   UNL     1       6.546   0.121   1.647  1.00  0.00           H  
HETATM   70  H   UNL     1       8.011   0.093   0.636  1.00  0.00           H  
HETATM   71  H   UNL     1       6.247   1.893   0.060  1.00  0.00           H  
HETATM   72  H   UNL     1       6.815   0.879  -1.291  1.00  0.00           H  
HETATM   73  H   UNL     1       4.887   2.751  -1.898  1.00  0.00           H  
HETATM   74  H   UNL     1       3.170   2.672  -2.362  1.00  0.00           H  
HETATM   75  H   UNL     1       2.515   3.204  -0.031  1.00  0.00           H  
HETATM   76  H   UNL     1       4.232   3.283   0.433  1.00  0.00           H  
HETATM   77  H   UNL     1       4.585   5.127  -1.187  1.00  0.00           H  
HETATM   78  H   UNL     1       2.868   5.048  -1.651  1.00  0.00           H  
HETATM   79  H   UNL     1       3.980   7.537  -0.587  1.00  0.00           H  
HETATM   80  H   UNL     1       2.268   7.191  -0.932  1.00  0.00           H  
HETATM   81  H   UNL     1       2.546   9.069   0.700  1.00  0.00           H  
HETATM   82  H   UNL     1       1.670   7.688   1.404  1.00  0.00           H  
HETATM   83  H   UNL     1       4.610   6.590   3.275  1.00  0.00           H  
HETATM   84  H   UNL     1       2.903   6.207   2.942  1.00  0.00           H  
HETATM   85  H   UNL     1       4.361   4.677   1.680  1.00  0.00           H  
HETATM   86  H   UNL     1       5.209   6.060   0.947  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   14                                       
CONECT    3    4    2    2   13                                       
CONECT    4    3    5   48   49                                       
CONECT    5    4    6   50                                            
CONECT    6    5    7   51   52                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   53                                       
CONECT    9    8   10   10   54                                       
CONECT   10    9    9   11   55                                       
CONECT   11   12   12   10   56                                       
CONECT   12    7   11   11   57                                       
CONECT   13    3   16   16   58                                       
CONECT   14    2   15   15   59                                       
CONECT   15   14   14   16   60                                       
CONECT   16   13   13   15   17                                       
CONECT   17   16   18   18   18                                       
CONECT   18   17   17   17   19                                       
CONECT   19   20   18   21   21                                       
CONECT   20   25   25   19   61                                       
CONECT   21   19   19   23   22                                       
CONECT   22   21                                                      
CONECT   23   24   24   21   62                                       
CONECT   24   25   23   23   63                                       
CONECT   25   26   20   20   24                                       
CONECT   26   27   27   28   25                                       
CONECT   27   38   26   26                                            
CONECT   28   37   37   26   29                                       
CONECT   29   28   30   64   65                                       
CONECT   30   35   29   31                                            
CONECT   31   30   34   32   32                                       
CONECT   31   33   33                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   31   66   67   68                                       
CONECT   35   36   30   69   70                                       
CONECT   36   37   35   71   72                                       
CONECT   37   38   36   28   28                                       
CONECT   38   39   27   37                                            
CONECT   39   40   38   73   74                                       
CONECT   40   41   39   75   76                                       
CONECT   41   42   40   77   78                                       
CONECT   42   47   43   41                                            
CONECT   43   44   42   79   80                                       
CONECT   44   45   43   81   82                                       
CONECT   45   46   44                                                 
CONECT   46   45   47   83   84                                       
CONECT   47   46   42   85   86                                       
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   47                                                      
CONECT   86   47                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
