COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.759   3.656   1.223  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.439   4.068   0.907  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.862   7.169   1.882  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.370   4.953   0.842  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.098   3.823   0.520  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.648   2.087  -1.932  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.169   2.156  -2.029  1.00  0.00           C  
HETATM    8  C   UNL     1       0.430   3.072  -2.922  1.00  0.00           C  
HETATM    9  C   UNL     1       1.764   2.995  -3.172  1.00  0.00           C  
HETATM   10  C   UNL     1       5.104   1.291  -1.042  1.00  0.00           C  
HETATM   11  C   UNL     1       5.046  -0.113  -1.623  1.00  0.00           C  
HETATM   12  C   UNL     1       7.446   0.675  -0.269  1.00  0.00           C  
HETATM   13  C   UNL     1       7.830   3.261   0.636  1.00  0.00           C  
HETATM   14  C   UNL     1       6.638   2.899   0.043  1.00  0.00           C  
HETATM   15  C   UNL     1       6.438   1.602  -0.417  1.00  0.00           C  
HETATM   16  C   UNL     1       3.946   1.538  -0.084  1.00  0.00           C  
HETATM   17  C   UNL     1       2.017   0.601   0.888  1.00  0.00           C  
HETATM   18  C   UNL     1       2.191  -0.698   1.644  1.00  0.00           C  
HETATM   19  C   UNL     1       3.606  -0.810   2.254  1.00  0.00           C  
HETATM   20  C   UNL     1       3.919  -2.314   2.124  1.00  0.00           C  
HETATM   21  O   UNL     1       3.161  -2.800   1.014  1.00  0.00           O  
HETATM   22  O   UNL     1      -8.482   3.208   0.765  1.00  0.00           O  
HETATM   23  N   UNL     1      -7.495   5.266   1.429  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.217   5.834   1.395  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.578   2.596  -0.105  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.327   1.667  -0.337  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.271   2.503  -0.421  1.00  0.00           N  
HETATM   28  S   UNL     1      -3.662   1.084  -1.004  1.00  0.00           S  
HETATM   29  O   UNL     1      -4.167   0.868  -2.307  1.00  0.00           O  
HETATM   30  N   UNL     1      -2.157   1.196  -1.084  1.00  0.00           N  
HETATM   31  O   UNL     1      -2.357   2.811  -2.622  1.00  0.00           O  
HETATM   32  C   UNL     1       2.560   2.090  -2.456  1.00  0.00           C  
HETATM   33  O   UNL     1       3.799   1.891  -2.939  1.00  0.00           O  
HETATM   34  C   UNL     1       4.936   2.298  -2.205  1.00  0.00           C  
HETATM   35  C   UNL     1       5.791  -1.103  -0.726  1.00  0.00           C  
HETATM   36  C   UNL     1       7.280  -0.751  -0.729  1.00  0.00           C  
HETATM   37  C   UNL     1       8.642   1.036   0.335  1.00  0.00           C  
HETATM   38  C   UNL     1       8.838   2.324   0.789  1.00  0.00           C  
HETATM   39 CL   UNL     1      10.335   2.764   1.549  1.00  0.00          Cl  
HETATM   40  N   UNL     1       2.779   0.667  -0.389  1.00  0.00           N  
HETATM   41  C   UNL     1       2.041  -1.940   0.748  1.00  0.00           C  
HETATM   42  C   UNL     1       0.767  -2.725   1.011  1.00  0.00           C  
HETATM   43  C   UNL     1       0.431  -3.515  -0.260  1.00  0.00           C  
HETATM   44  N   UNL     1      -0.747  -4.358  -0.015  1.00  0.00           N  
HETATM   45  C   UNL     1      -0.385  -5.560   0.751  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.650  -6.365   1.054  1.00  0.00           C  
HETATM   47  N   UNL     1      -2.313  -6.730  -0.206  1.00  0.00           N  
HETATM   48  C   UNL     1      -3.500  -7.559   0.052  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.137  -7.961  -1.280  1.00  0.00           C  
HETATM   50  O   UNL     1      -4.455  -6.781  -2.024  1.00  0.00           O  
HETATM   51  C   UNL     1      -3.322  -5.953  -2.298  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.670  -5.531  -0.978  1.00  0.00           C  
HETATM   53  C   UNL     1      -1.405  -4.722  -1.277  1.00  0.00           C  
HETATM   54  O   UNL     1       1.019  -3.660   2.063  1.00  0.00           O  
HETATM   55  C   UNL     1       1.312  -3.053   3.323  1.00  0.00           C  
HETATM   56  C   UNL     1      -0.419  -1.890   1.390  1.00  0.00           C  
HETATM   57  F   UNL     1      -0.284  -0.569   1.638  1.00  0.00           F  
HETATM   58  C   UNL     1      -1.608  -2.444   1.493  1.00  0.00           C  
HETATM   59  C   UNL     1      -2.828  -1.654   1.874  1.00  0.00           C  
HETATM   60  C   UNL     1      -2.858  -0.286   1.208  1.00  0.00           C  
HETATM   61  C   UNL     1      -3.061   0.789   2.280  1.00  0.00           C  
HETATM   62  C   UNL     1      -4.023  -0.224   0.204  1.00  0.00           C  
HETATM   63  C   UNL     1       2.004   1.345  -1.334  1.00  0.00           C  
HETATM   64  C   UNL     1       0.610   1.332  -1.228  1.00  0.00           C  
HETATM   65  H   UNL     1      -9.705   3.878   2.289  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.045   4.556   0.679  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.500   2.876   1.052  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.973   7.893   1.074  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.521   7.442   2.707  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.828   7.167   2.228  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.312   5.098   0.679  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.170   3.822  -3.413  1.00  0.00           H  
HETATM   73  H   UNL     1       2.224   3.641  -3.905  1.00  0.00           H  
HETATM   74  H   UNL     1       4.006  -0.431  -1.715  1.00  0.00           H  
HETATM   75  H   UNL     1       5.499  -0.117  -2.617  1.00  0.00           H  
HETATM   76  H   UNL     1       7.976   4.272   0.987  1.00  0.00           H  
HETATM   77  H   UNL     1       5.851   3.632  -0.064  1.00  0.00           H  
HETATM   78  H   UNL     1       4.265   1.360   0.934  1.00  0.00           H  
HETATM   79  H   UNL     1       3.613   2.570  -0.186  1.00  0.00           H  
HETATM   80  H   UNL     1       0.979   0.815   0.752  1.00  0.00           H  
HETATM   81  H   UNL     1       2.429   1.400   1.529  1.00  0.00           H  
HETATM   82  H   UNL     1       1.469  -0.754   2.473  1.00  0.00           H  
HETATM   83  H   UNL     1       4.322  -0.222   1.684  1.00  0.00           H  
HETATM   84  H   UNL     1       3.601  -0.505   3.299  1.00  0.00           H  
HETATM   85  H   UNL     1       4.980  -2.458   1.940  1.00  0.00           H  
HETATM   86  H   UNL     1       3.622  -2.832   3.033  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.688   3.269  -0.306  1.00  0.00           H  
HETATM   88  H   UNL     1       4.782   3.298  -1.803  1.00  0.00           H  
HETATM   89  H   UNL     1       5.821   2.279  -2.837  1.00  0.00           H  
HETATM   90  H   UNL     1       5.408  -1.034   0.292  1.00  0.00           H  
HETATM   91  H   UNL     1       5.655  -2.118  -1.100  1.00  0.00           H  
HETATM   92  H   UNL     1       7.680  -0.858  -1.732  1.00  0.00           H  
HETATM   93  H   UNL     1       7.808  -1.414  -0.045  1.00  0.00           H  
HETATM   94  H   UNL     1       9.425   0.302   0.446  1.00  0.00           H  
HETATM   95  H   UNL     1       2.080  -1.637  -0.301  1.00  0.00           H  
HETATM   96  H   UNL     1       0.219  -2.822  -1.074  1.00  0.00           H  
HETATM   97  H   UNL     1       1.278  -4.145  -0.531  1.00  0.00           H  
HETATM   98  H   UNL     1       0.303  -6.170   0.166  1.00  0.00           H  
HETATM   99  H   UNL     1       0.092  -5.265   1.685  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.383  -7.270   1.599  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.328  -5.763   1.660  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.205  -8.455   0.599  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.218  -6.991   0.642  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.437  -8.572  -1.849  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.048  -8.530  -1.092  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.602  -6.509  -2.898  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.643  -5.067  -2.845  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.365  -4.921  -0.402  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.673  -3.817  -1.822  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.725  -5.322  -1.882  1.00  0.00           H  
HETATM  111  H   UNL     1       2.111  -2.322   3.198  1.00  0.00           H  
HETATM  112  H   UNL     1       0.419  -2.554   3.702  1.00  0.00           H  
HETATM  113  H   UNL     1       1.628  -3.819   4.032  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.720  -3.508   1.309  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.718  -2.213   1.570  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.849  -1.527   2.959  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.925  -0.103   0.678  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.241   0.747   2.997  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.084   1.772   1.810  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.005   0.612   2.797  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.954  -0.004   0.730  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.109  -1.184  -0.308  1.00  0.00           H  
HETATM  123  H   UNL     1       0.110   0.629  -0.579  1.00  0.00           H  
CONECT    1   22   65   66   67                                       
CONECT    2   23   23    5   22                                       
CONECT    3   24   68   69   70                                       
CONECT    4   24    5    5   71                                       
CONECT    5    4    4    2   25                                       
CONECT    6    7   30   31   31                                       
CONECT    7    8    8   64    6                                       
CONECT    8    9    7    7   72                                       
CONECT    9   32   32    8   73                                       
CONECT   10   15   34   16   11                                       
CONECT   11   10   35   74   75                                       
CONECT   12   37   37   15   36                                       
CONECT   13   38   38   14   76                                       
CONECT   14   13   15   15   77                                       
CONECT   15   14   14   12   10                                       
CONECT   16   10   40   78   79                                       
CONECT   17   40   18   80   81                                       
CONECT   18   19   17   41   82                                       
CONECT   19   20   18   83   84                                       
CONECT   20   19   21   85   86                                       
CONECT   21   20   41                                                 
CONECT   22    2    1                                                 
CONECT   23   24    2    2                                            
CONECT   24    3    4   23                                            
CONECT   25    5   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   87                                            
CONECT   28   30   30   27   62                                       
CONECT   28   29   29                                                 
CONECT   29   28   28                                                 
CONECT   30    6   28   28                                            
CONECT   31    6    6                                                 
CONECT   32   33    9    9   63                                       
CONECT   33   34   32                                                 
CONECT   34   10   33   88   89                                       
CONECT   35   36   11   90   91                                       
CONECT   36   12   35   92   93                                       
CONECT   37   38   12   12   94                                       
CONECT   38   39   13   13   37                                       
CONECT   39   38                                                      
CONECT   40   16   63   17                                            
CONECT   41   18   21   42   95                                       
CONECT   42   41   56   54   43                                       
CONECT   43   42   44   96   97                                       
CONECT   44   43   45   53                                            
CONECT   45   44   46   98   99                                       
CONECT   46   45   47  100  101                                       
CONECT   47   46   52   48                                            
CONECT   48   47   49  102  103                                       
CONECT   49   48   50  104  105                                       
CONECT   50   51   49                                                 
CONECT   51   52   50  106  107                                       
CONECT   52   53   47   51  108                                       
CONECT   53   44   52  109  110                                       
CONECT   54   42   55                                                 
CONECT   55   54  111  112  113                                       
CONECT   56   57   42   58   58                                       
CONECT   57   56                                                      
CONECT   58   56   56   59  114                                       
CONECT   59   60   58  115  116                                       
CONECT   60   61   59   62  117                                       
CONECT   61   60  118  119  120                                       
CONECT   62   60   28  121  122                                       
CONECT   63   32   40   64   64                                       
CONECT   64   63   63    7  123                                       
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    1                                                      
CONECT   68    3                                                      
CONECT   69    3                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74   11                                                      
CONECT   75   11                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   16                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   20                                                      
CONECT   87   27                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   41                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   48                                                      
CONECT  103   48                                                      
CONECT  104   49                                                      
CONECT  105   49                                                      
CONECT  106   51                                                      
CONECT  107   51                                                      
CONECT  108   52                                                      
CONECT  109   53                                                      
CONECT  110   53                                                      
CONECT  111   55                                                      
CONECT  112   55                                                      
CONECT  113   55                                                      
CONECT  114   58                                                      
CONECT  115   59                                                      
CONECT  116   59                                                      
CONECT  117   60                                                      
CONECT  118   61                                                      
CONECT  119   61                                                      
CONECT  120   61                                                      
CONECT  121   62                                                      
CONECT  122   62                                                      
CONECT  123   64                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
