COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.271   3.104  -1.309  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.584   2.838  -0.570  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.360   2.972   0.915  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.434   4.219   1.518  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.708   5.321   0.772  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.769   6.572   1.461  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.228   4.339   2.885  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.950   3.216   3.641  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.877   1.975   3.037  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.087   1.852   1.676  1.00  0.00           C  
HETATM   11  O   UNL     1       0.677   2.088  -0.977  1.00  0.00           O  
HETATM   12  C   UNL     1       1.985   2.440  -0.991  1.00  0.00           C  
HETATM   13  N   UNL     1       2.345   3.675  -1.302  1.00  0.00           N  
HETATM   14  C   UNL     1       3.616   4.032  -1.320  1.00  0.00           C  
HETATM   15  N   UNL     1       4.583   3.190  -1.034  1.00  0.00           N  
HETATM   16  C   UNL     1       4.318   1.919  -0.707  1.00  0.00           C  
HETATM   17  C   UNL     1       2.987   1.493  -0.668  1.00  0.00           C  
HETATM   18  C   UNL     1       2.868   0.091  -0.297  1.00  0.00           C  
HETATM   19  C   UNL     1       4.056  -0.521  -0.065  1.00  0.00           C  
HETATM   20  S   UNL     1       5.391   0.594  -0.283  1.00  0.00           S  
HETATM   21  C   UNL     1       4.204  -1.936   0.325  1.00  0.00           C  
HETATM   22  C   UNL     1       3.548  -2.935  -0.398  1.00  0.00           C  
HETATM   23  C   UNL     1       3.692  -4.258  -0.027  1.00  0.00           C  
HETATM   24 CL   UNL     1       2.878  -5.502  -0.923  1.00  0.00          Cl  
HETATM   25  C   UNL     1       4.484  -4.594   1.058  1.00  0.00           C  
HETATM   26  C   UNL     1       5.136  -3.608   1.778  1.00  0.00           C  
HETATM   27  C   UNL     1       5.006  -2.284   1.415  1.00  0.00           C  
HETATM   28  C   UNL     1       1.567  -0.606  -0.184  1.00  0.00           C  
HETATM   29  C   UNL     1       0.886  -0.621   1.034  1.00  0.00           C  
HETATM   30  C   UNL     1       1.474   0.071   2.237  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.327  -1.271   1.135  1.00  0.00           C  
HETATM   32 CL   UNL     1      -1.176  -1.291   2.649  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -0.870  -1.909   0.027  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.066  -2.547   0.130  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.566  -3.182  -1.049  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.911  -3.843  -0.740  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.899  -2.809  -0.407  1.00  0.00           N  
HETATM   38  C   UNL     1      -6.131  -3.410   0.123  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.102  -2.300   0.532  1.00  0.00           C  
HETATM   40  N   UNL     1      -7.392  -1.452  -0.633  1.00  0.00           N  
HETATM   41  C   UNL     1      -8.380  -0.419  -0.299  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.160  -0.851  -1.163  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.189  -1.962  -1.572  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.195  -1.894  -1.186  1.00  0.00           C  
HETATM   45  C   UNL     1       1.016  -1.243  -1.296  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.521   3.092  -2.795  1.00  0.00           C  
HETATM   47  O   UNL     1      -1.304   4.029  -3.352  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.016   2.238  -3.485  1.00  0.00           O  
HETATM   49  H   UNL     1       0.121   4.078  -1.015  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.335   3.560  -0.890  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.930   1.829  -0.795  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.809   6.772   1.936  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.995   7.367   0.750  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.549   6.531   2.220  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.285   5.308   3.357  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.790   3.309   4.706  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.659   1.099   3.631  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.034   0.881   1.207  1.00  0.00           H  
HETATM   59  H   UNL     1       3.870   5.049  -1.579  1.00  0.00           H  
HETATM   60  H   UNL     1       2.930  -2.674  -1.244  1.00  0.00           H  
HETATM   61  H   UNL     1       4.594  -5.629   1.343  1.00  0.00           H  
HETATM   62  H   UNL     1       5.756  -3.877   2.620  1.00  0.00           H  
HETATM   63  H   UNL     1       5.516  -1.516   1.978  1.00  0.00           H  
HETATM   64  H   UNL     1       1.129   1.105   2.265  1.00  0.00           H  
HETATM   65  H   UNL     1       1.156  -0.443   3.143  1.00  0.00           H  
HETATM   66  H   UNL     1       2.562   0.053   2.171  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.698  -2.438  -1.834  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.856  -3.940  -1.382  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.249  -4.402  -1.613  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.796  -4.523   0.104  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.592  -4.032  -0.645  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.892  -4.023   0.993  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.028  -2.743   0.898  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.652  -1.695   1.319  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.992   0.210   0.502  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.576   0.194  -1.179  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.306  -0.893   0.027  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.399  -0.239  -2.032  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.699  -0.230  -0.395  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.263  -1.518  -1.938  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.639  -2.567  -2.359  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.620  -2.391  -2.046  1.00  0.00           H  
HETATM   83  H   UNL     1       1.540  -1.233  -2.240  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.434   3.980  -4.309  1.00  0.00           H  
CONECT    1   46   11    2   49                                       
CONECT    2    1    3   50   51                                       
CONECT    3    2   10   10    4                                       
CONECT    4    3    5    7    7                                       
CONECT    5    4    6                                                 
CONECT    6    5   52   53   54                                       
CONECT    7    4    4    8   55                                       
CONECT    8    9    9    7   56                                       
CONECT    9   10    8    8   57                                       
CONECT   10    3    3    9   58                                       
CONECT   11   12    1                                                 
CONECT   12   17   17   13   11                                       
CONECT   13   14   14   12                                            
CONECT   14   15   13   13   59                                       
CONECT   15   16   16   14                                            
CONECT   16   20   15   15   17                                       
CONECT   17   16   18   12   12                                       
CONECT   18   19   19   17   28                                       
CONECT   19   20   21   18   18                                       
CONECT   20   16   19                                                 
CONECT   21   27   19   22   22                                       
CONECT   22   21   21   23   60                                       
CONECT   23   25   25   22   24                                       
CONECT   24   23                                                      
CONECT   25   26   23   23   61                                       
CONECT   26   27   27   25   62                                       
CONECT   27   26   26   21   63                                       
CONECT   28   45   18   29   29                                       
CONECT   29   28   28   31   30                                       
CONECT   30   29   64   65   66                                       
CONECT   31   33   33   29   32                                       
CONECT   32   31                                                      
CONECT   33   44   34   31   31                                       
CONECT   34   35   33                                                 
CONECT   35   34   36   67   68                                       
CONECT   36   35   37   69   70                                       
CONECT   37   36   38   43                                            
CONECT   38   37   39   71   72                                       
CONECT   39   38   40   73   74                                       
CONECT   40   39   42   41                                            
CONECT   41   40   75   76   77                                       
CONECT   42   43   40   78   79                                       
CONECT   43   37   42   80   81                                       
CONECT   44   45   45   33   82                                       
CONECT   45   44   44   28   83                                       
CONECT   46   48   48   47    1                                       
CONECT   47   46   84                                                 
CONECT   48   46   46                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   14                                                      
CONECT   60   22                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   47                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
