COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.828   5.013   0.023  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.115   5.546  -0.038  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.172   4.756  -0.492  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.359   6.945   0.377  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.420   1.498  -1.239  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.127  -0.680  -0.188  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.866  -1.115   1.923  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.496  -3.380   1.212  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.261  -5.158  -0.380  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.482  -5.285  -1.691  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.201  -4.454  -1.606  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.484  -7.256  -0.183  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.676  -9.550   0.064  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.941   3.451  -0.878  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.664   2.924  -0.817  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.606   3.704  -0.371  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.341   0.643  -0.052  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.046  -1.560   1.034  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.999  -1.164  -1.293  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.290  -2.459   2.441  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.790  -2.951   0.632  1.00  0.00           N  
HETATM   22  O   UNL     1      -5.032  -2.933   3.567  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.598  -3.710  -0.134  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.596  -3.228  -0.627  1.00  0.00           O  
HETATM   25  N   UNL     1      -7.497  -5.939  -0.468  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.124  -6.753  -1.931  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.345  -4.775  -2.848  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.449  -7.795   0.148  1.00  0.00           O  
HETATM   29  C   UNL     1      -9.356  -8.582   1.033  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.756  -8.059  -0.273  1.00  0.00           C  
HETATM   31  F   UNL     1      -9.644  -7.672  -1.283  1.00  0.00           F  
HETATM   32  C   UNL     1      -8.069   7.866  -0.310  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.138   9.041   0.277  1.00  0.00           N  
HETATM   34  C   UNL     1      -7.535   9.172   1.411  1.00  0.00           C  
HETATM   35  S   UNL     1      -6.782   7.704   1.859  1.00  0.00           S  
HETATM   36  C   UNL     1      -8.725   7.573  -1.634  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.352   3.182  -0.319  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.311   4.042   0.149  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.981   3.285   0.138  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.866   4.205   0.639  1.00  0.00           C  
HETATM   41  N   UNL     1       0.410   3.478   0.629  1.00  0.00           N  
HETATM   42  C   UNL     1       0.815   3.145  -0.743  1.00  0.00           C  
HETATM   43  C   UNL     1       2.067   2.266  -0.707  1.00  0.00           C  
HETATM   44  C   UNL     1       3.193   3.018   0.008  1.00  0.00           C  
HETATM   45  C   UNL     1       2.728   3.396   1.418  1.00  0.00           C  
HETATM   46  C   UNL     1       1.457   4.242   1.320  1.00  0.00           C  
HETATM   47  C   UNL     1       4.410   2.135   0.100  1.00  0.00           C  
HETATM   48  C   UNL     1       5.595   2.536  -0.486  1.00  0.00           C  
HETATM   49  C   UNL     1       6.717   1.722  -0.402  1.00  0.00           C  
HETATM   50  C   UNL     1       6.641   0.504   0.274  1.00  0.00           C  
HETATM   51  C   UNL     1       5.446   0.110   0.860  1.00  0.00           C  
HETATM   52  C   UNL     1       4.337   0.928   0.775  1.00  0.00           C  
HETATM   53  N   UNL     1       8.016   1.847  -0.876  1.00  0.00           N  
HETATM   54  C   UNL     1       8.724   0.734  -0.502  1.00  0.00           C  
HETATM   55  N   UNL     1       7.900  -0.090   0.198  1.00  0.00           N  
HETATM   56  N   UNL     1       9.992   0.429  -0.736  1.00  0.00           N  
HETATM   57  C   UNL     1      10.545  -0.707  -0.300  1.00  0.00           C  
HETATM   58  C   UNL     1       9.707  -1.648   0.466  1.00  0.00           C  
HETATM   59  C   UNL     1       8.367  -1.296   0.697  1.00  0.00           C  
HETATM   60  C   UNL     1      10.207  -2.852   0.956  1.00  0.00           C  
HETATM   61  C   UNL     1       9.374  -3.692   1.668  1.00  0.00           C  
HETATM   62  C   UNL     1       8.052  -3.344   1.895  1.00  0.00           C  
HETATM   63  C   UNL     1       7.545  -2.153   1.414  1.00  0.00           C  
HETATM   64  C   UNL     1       8.542   2.977  -1.646  1.00  0.00           C  
HETATM   65  O   UNL     1      11.715  -0.961  -0.532  1.00  0.00           O  
HETATM   66 BR   UNL     1      12.009  -3.333   0.647  1.00  0.00          Br  
HETATM   67  C   UNL     1       9.110   2.480  -2.992  1.00  0.00           C  
HETATM   68  C   UNL     1      10.358   3.367  -3.227  1.00  0.00           C  
HETATM   69  C   UNL     1      10.949   3.510  -1.802  1.00  0.00           C  
HETATM   70  C   UNL     1       9.712   3.631  -0.890  1.00  0.00           C  
HETATM   71  H   UNL     1      -5.006   5.620   0.373  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.170   5.165  -0.540  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.239   1.162  -1.875  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.483   1.439  -1.792  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.122  -0.577   1.336  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.218  -0.501   2.753  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.691  -3.236   0.492  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.547  -4.424   1.522  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.652  -5.534   0.442  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.628  -4.758  -0.729  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.603  -4.615  -2.503  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.457  -3.398  -1.524  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.703  -9.949   0.351  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.315 -10.228  -0.501  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.759   2.840  -1.228  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.444   1.030   0.832  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.978  -1.499   1.596  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.231  -2.364   2.684  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.773  -3.816   3.865  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.325  -5.508  -0.732  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.510  -7.116  -1.107  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.037  -7.345  -1.992  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.569  -6.844  -2.865  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.790  -4.866  -3.782  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.258  -5.367  -2.908  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.600  -3.730  -2.677  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.443  -8.623   1.106  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.832  -8.344   1.959  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.513  10.080   1.996  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.763   7.285  -1.469  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.690   8.463  -2.262  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.196   6.758  -2.129  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.238   4.913  -0.502  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.536   4.366   1.165  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.054   2.414   0.790  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.756   2.961  -0.878  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.794   5.076  -0.012  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.092   4.529   1.655  1.00  0.00           H  
HETATM  109  H   UNL     1       0.007   2.607  -1.239  1.00  0.00           H  
HETATM  110  H   UNL     1       1.031   4.062  -1.291  1.00  0.00           H  
HETATM  111  H   UNL     1       1.849   1.342  -0.171  1.00  0.00           H  
HETATM  112  H   UNL     1       2.376   2.032  -1.726  1.00  0.00           H  
HETATM  113  H   UNL     1       3.438   3.922  -0.549  1.00  0.00           H  
HETATM  114  H   UNL     1       2.520   2.490   1.987  1.00  0.00           H  
HETATM  115  H   UNL     1       3.509   3.969   1.917  1.00  0.00           H  
HETATM  116  H   UNL     1       1.669   5.154   0.763  1.00  0.00           H  
HETATM  117  H   UNL     1       1.115   4.501   2.323  1.00  0.00           H  
HETATM  118  H   UNL     1       5.648   3.479  -1.008  1.00  0.00           H  
HETATM  119  H   UNL     1       5.384  -0.832   1.384  1.00  0.00           H  
HETATM  120  H   UNL     1       3.407   0.622   1.230  1.00  0.00           H  
HETATM  121  H   UNL     1       9.756  -4.628   2.050  1.00  0.00           H  
HETATM  122  H   UNL     1       7.412  -4.010   2.453  1.00  0.00           H  
HETATM  123  H   UNL     1       6.513  -1.890   1.596  1.00  0.00           H  
HETATM  124  H   UNL     1       7.753   3.709  -1.820  1.00  0.00           H  
HETATM  125  H   UNL     1       9.395   1.431  -2.922  1.00  0.00           H  
HETATM  126  H   UNL     1       8.382   2.627  -3.790  1.00  0.00           H  
HETATM  127  H   UNL     1      11.066   2.869  -3.891  1.00  0.00           H  
HETATM  128  H   UNL     1      10.072   4.340  -3.626  1.00  0.00           H  
HETATM  129  H   UNL     1      11.531   2.626  -1.540  1.00  0.00           H  
HETATM  130  H   UNL     1      11.564   4.407  -1.733  1.00  0.00           H  
HETATM  131  H   UNL     1       9.491   4.681  -0.697  1.00  0.00           H  
HETATM  132  H   UNL     1       9.888   3.108   0.050  1.00  0.00           H  
CONECT    1   16   16    2   71                                       
CONECT    2    3    3    1    4                                       
CONECT    3   14    2    2   72                                       
CONECT    4    2   35   32   32                                       
CONECT    5   17   15   73   74                                       
CONECT    6   18   19   19   17                                       
CONECT    7   20   18   75   76                                       
CONECT    8   21   20   77   78                                       
CONECT    9   25   10   23   79                                       
CONECT   10   27   11    9   26                                       
CONECT   11   10   80   81   82                                       
CONECT   12   30   28   28   25                                       
CONECT   13   29   30   83   84                                       
CONECT   14   15   15    3   85                                       
CONECT   15    5   14   14   16                                       
CONECT   16   37   15    1    1                                       
CONECT   17    6    5   86                                            
CONECT   18   21    7    6   87                                       
CONECT   19    6    6                                                 
CONECT   20    8   22    7   88                                       
CONECT   21   23    8   18                                            
CONECT   22   20   89                                                 
CONECT   23    9   24   24   21                                       
CONECT   24   23   23                                                 
CONECT   25   12    9   90                                            
CONECT   26   10   91   92   93                                       
CONECT   27   10   94   95   96                                       
CONECT   28   12   12                                                 
CONECT   29   13   30   97   98                                       
CONECT   30   13   29   12   31                                       
CONECT   31   30                                                      
CONECT   32    4    4   36   33                                       
CONECT   33   32   34   34                                            
CONECT   34   35   33   33   99                                       
CONECT   35    4   34                                                 
CONECT   36   32  100  101  102                                       
CONECT   37   38   16                                                 
CONECT   38   39   37  103  104                                       
CONECT   39   40   38  105  106                                       
CONECT   40   41   39  107  108                                       
CONECT   41   42   46   40                                            
CONECT   42   43   41  109  110                                       
CONECT   43   44   42  111  112                                       
CONECT   44   47   43   45  113                                       
CONECT   45   44   46  114  115                                       
CONECT   46   45   41  116  117                                       
CONECT   47   48   48   52   44                                       
CONECT   48   49   47   47  118                                       
CONECT   49   53   50   50   48                                       
CONECT   50   55   49   49   51                                       
CONECT   51   50   52   52  119                                       
CONECT   52   51   51   47  120                                       
CONECT   53   54   64   49                                            
CONECT   54   56   56   55   53                                       
CONECT   55   54   59   50                                            
CONECT   56   57   54   54                                            
CONECT   57   65   65   56   58                                       
CONECT   58   57   60   60   59                                       
CONECT   59   58   55   63   63                                       
CONECT   60   66   58   58   61                                       
CONECT   61   60   62   62  121                                       
CONECT   62   61   61   63  122                                       
CONECT   63   59   59   62  123                                       
CONECT   64   67   53   70  124                                       
CONECT   65   57   57                                                 
CONECT   66   60                                                      
CONECT   67   64   68  125  126                                       
CONECT   68   67   69  127  128                                       
CONECT   69   68   70  129  130                                       
CONECT   70   64   69  131  132                                       
CONECT   71    1                                                      
CONECT   72    3                                                      
CONECT   73    5                                                      
CONECT   74    5                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78    8                                                      
CONECT   79    9                                                      
CONECT   80   11                                                      
CONECT   81   11                                                      
CONECT   82   11                                                      
CONECT   83   13                                                      
CONECT   84   13                                                      
CONECT   85   14                                                      
CONECT   86   17                                                      
CONECT   87   18                                                      
CONECT   88   20                                                      
CONECT   89   22                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   27                                                      
CONECT   97   29                                                      
CONECT   98   29                                                      
CONECT   99   34                                                      
CONECT  100   36                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   38                                                      
CONECT  104   38                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   40                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   43                                                      
CONECT  112   43                                                      
CONECT  113   44                                                      
CONECT  114   45                                                      
CONECT  115   45                                                      
CONECT  116   46                                                      
CONECT  117   46                                                      
CONECT  118   48                                                      
CONECT  119   51                                                      
CONECT  120   52                                                      
CONECT  121   61                                                      
CONECT  122   62                                                      
CONECT  123   63                                                      
CONECT  124   64                                                      
CONECT  125   67                                                      
CONECT  126   67                                                      
CONECT  127   68                                                      
CONECT  128   68                                                      
CONECT  129   69                                                      
CONECT  130   69                                                      
CONECT  131   70                                                      
CONECT  132   70                                                      
MASTER        0    0    0    0    0    0    0    0  132    0  132    0
END
