COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.799  -0.509   1.020  1.00  0.00           C  
HETATM    2  C   UNL     1       3.831   0.549   0.995  1.00  0.00           C  
HETATM    3  C   UNL     1       4.285   1.113   2.188  1.00  0.00           C  
HETATM    4  C   UNL     1       5.252   2.097   2.158  1.00  0.00           C  
HETATM    5  C   UNL     1       5.771   2.524   0.948  1.00  0.00           C  
HETATM    6  C   UNL     1       5.324   1.969  -0.239  1.00  0.00           C  
HETATM    7  C   UNL     1       4.359   0.984  -0.222  1.00  0.00           C  
HETATM    8  C   UNL     1       5.743   2.707   3.446  1.00  0.00           C  
HETATM    9  O   UNL     1       2.341  -0.886   2.081  1.00  0.00           O  
HETATM   10 BR   UNL     1       7.096   3.873   0.917  1.00  0.00          Br  
HETATM   11  N   UNL     1       2.363  -1.052  -0.134  1.00  0.00           N  
HETATM   12  C   UNL     1       1.336  -2.097  -0.109  1.00  0.00           C  
HETATM   13  C   UNL     1       0.085  -1.557   0.535  1.00  0.00           C  
HETATM   14  O   UNL     1       0.145  -0.577   1.248  1.00  0.00           O  
HETATM   15  C   UNL     1       1.847  -3.295   0.693  1.00  0.00           C  
HETATM   16  C   UNL     1       3.025  -3.910  -0.017  1.00  0.00           C  
HETATM   17  C   UNL     1       2.823  -4.909  -0.952  1.00  0.00           C  
HETATM   18  C   UNL     1       4.306  -3.472   0.261  1.00  0.00           C  
HETATM   19  C   UNL     1       3.904  -5.473  -1.604  1.00  0.00           C  
HETATM   20  C   UNL     1       5.386  -4.036  -0.391  1.00  0.00           C  
HETATM   21  C   UNL     1       5.186  -5.039  -1.321  1.00  0.00           C  
HETATM   22  C   UNL     1       6.363  -5.654  -2.032  1.00  0.00           C  
HETATM   23  F   UNL     1       5.981  -6.040  -3.321  1.00  0.00           F  
HETATM   24  F   UNL     1       7.400  -4.719  -2.113  1.00  0.00           F  
HETATM   25  P   UNL     1       6.935  -7.116  -1.105  1.00  0.00           P  
HETATM   26  O   UNL     1       8.035  -7.772  -1.848  1.00  0.00           O  
HETATM   27  O   UNL     1       7.464  -6.660   0.345  1.00  0.00           O  
HETATM   28  O   UNL     1       5.715  -8.152  -0.930  1.00  0.00           O  
HETATM   29  N   UNL     1      -1.099  -2.163   0.320  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.563   2.900  -0.864  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.315  -1.638   0.947  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.328  -2.746   1.084  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.895  -0.521   0.078  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.918   0.656   0.041  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.499   1.773  -0.829  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.866   4.005  -1.573  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.922   5.143  -1.609  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.233   6.289  -2.343  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.348   7.347  -2.372  1.00  0.00           C  
HETATM   40  C   UNL     1       0.846   7.274  -1.676  1.00  0.00           C  
HETATM   41  C   UNL     1       1.160   6.141  -0.946  1.00  0.00           C  
HETATM   42  C   UNL     1       0.280   5.078  -0.904  1.00  0.00           C  
HETATM   43  O   UNL     1      -3.061  -3.863   0.696  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.915   4.067  -2.184  1.00  0.00           O  
HETATM   45  I   UNL     1       2.970   6.042   0.103  1.00  0.00           I  
HETATM   46  N   UNL     1      -4.531  -2.494   1.637  1.00  0.00           N  
HETATM   47  N   UNL     1      -7.135  -2.129   0.638  1.00  0.00           N  
HETATM   48  C   UNL     1      -5.516  -3.571   1.770  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.253  -4.338   3.040  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.923  -2.972   1.817  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.311  -1.494   0.466  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.529  -0.627  -0.747  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.915  -0.037  -0.701  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.973  -0.716  -1.275  1.00  0.00           C  
HETATM   55  C   UNL     1     -12.248  -0.176  -1.233  1.00  0.00           C  
HETATM   56  C   UNL     1     -12.460   1.052  -0.612  1.00  0.00           C  
HETATM   57  C   UNL     1     -11.395   1.727  -0.038  1.00  0.00           C  
HETATM   58  C   UNL     1     -10.126   1.179  -0.079  1.00  0.00           C  
HETATM   59  C   UNL     1     -12.998  -2.096  -2.419  1.00  0.00           C  
HETATM   60  O   UNL     1      -4.334  -4.017   3.763  1.00  0.00           O  
HETATM   61  O   UNL     1      -9.194  -1.621   1.287  1.00  0.00           O  
HETATM   62  O   UNL     1     -13.290  -0.842  -1.798  1.00  0.00           O  
HETATM   63  O   UNL     1     -13.709   1.587  -0.569  1.00  0.00           O  
HETATM   64  N   UNL     1      -6.040  -5.380   3.372  1.00  0.00           N  
HETATM   65  H   UNL     1       3.880   0.781   3.132  1.00  0.00           H  
HETATM   66  H   UNL     1       5.733   2.307  -1.179  1.00  0.00           H  
HETATM   67  H   UNL     1       4.014   0.549  -1.148  1.00  0.00           H  
HETATM   68  H   UNL     1       5.129   3.572   3.695  1.00  0.00           H  
HETATM   69  H   UNL     1       5.675   1.970   4.246  1.00  0.00           H  
HETATM   70  H   UNL     1       6.780   3.020   3.327  1.00  0.00           H  
HETATM   71  H   UNL     1       2.728  -0.751  -0.980  1.00  0.00           H  
HETATM   72  H   UNL     1       1.113  -2.411  -1.129  1.00  0.00           H  
HETATM   73  H   UNL     1       2.154  -2.964   1.686  1.00  0.00           H  
HETATM   74  H   UNL     1       1.052  -4.035   0.787  1.00  0.00           H  
HETATM   75  H   UNL     1       1.822  -5.249  -1.172  1.00  0.00           H  
HETATM   76  H   UNL     1       4.463  -2.688   0.987  1.00  0.00           H  
HETATM   77  H   UNL     1       3.747  -6.254  -2.333  1.00  0.00           H  
HETATM   78  H   UNL     1       6.387  -3.694  -0.174  1.00  0.00           H  
HETATM   79  H   UNL     1       6.795  -6.222   0.888  1.00  0.00           H  
HETATM   80  H   UNL     1       5.948  -8.955  -0.445  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.147  -2.947  -0.249  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.726   2.851  -0.376  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.074  -1.243   1.934  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.054  -0.893  -0.935  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.846  -0.191   0.496  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.760   1.028   1.053  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.968   0.326  -0.378  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.449   2.103  -0.410  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.657   1.401  -1.841  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.164   6.347  -2.887  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.587   8.233  -2.940  1.00  0.00           H  
HETATM   92  H   UNL     1       1.537   8.103  -1.706  1.00  0.00           H  
HETATM   93  H   UNL     1       0.526   4.194  -0.334  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.745  -1.600   1.947  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.428  -2.028  -0.019  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.436  -4.244   0.916  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.031  -2.369   2.719  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.659  -3.775   1.826  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.792   0.177  -0.757  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.421  -1.230  -1.649  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.806  -1.668  -1.757  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.557   2.680   0.444  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.298   1.704   0.373  1.00  0.00           H  
HETATM  104  H   UNL     1     -13.915  -2.521  -2.828  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.277  -1.945  -3.222  1.00  0.00           H  
HETATM  106  H   UNL     1     -12.580  -2.779  -1.679  1.00  0.00           H  
HETATM  107  H   UNL     1     -14.221   1.328   0.210  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.775  -5.637   2.794  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.871  -5.874   4.190  1.00  0.00           H  
CONECT    1    2   11    9    9                                       
CONECT    2    3    3    7    1                                       
CONECT    3    4    2    2   65                                       
CONECT    4    8    5    5    3                                       
CONECT    5   10    4    4    6                                       
CONECT    6    5    7    7   66                                       
CONECT    7    6    6    2   67                                       
CONECT    8    4   68   69   70                                       
CONECT    9    1    1                                                 
CONECT   10    5                                                      
CONECT   11    1   12   71                                            
CONECT   12   11   13   15   72                                       
CONECT   13   29   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   73   74                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   19   75                                       
CONECT   18   16   20   20   76                                       
CONECT   19   17   21   21   77                                       
CONECT   20   18   18   21   78                                       
CONECT   21   19   19   20   22                                       
CONECT   22   21   24   25   23                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   26   26   22   27                                       
CONECT   25   28                                                      
CONECT   26   25   25                                                 
CONECT   27   25   79                                                 
CONECT   28   25   80                                                 
CONECT   29   31   13   81                                            
CONECT   30   36   35   82                                            
CONECT   31   33   32   29   83                                       
CONECT   32   43   43   31   46                                       
CONECT   33   34   31   84   85                                       
CONECT   34   35   33   86   87                                       
CONECT   35   30   34   88   89                                       
CONECT   36   37   44   44   30                                       
CONECT   37   42   42   38   36                                       
CONECT   38   39   39   37   90                                       
CONECT   39   40   38   38   91                                       
CONECT   40   41   41   39   92                                       
CONECT   41   45   40   40   42                                       
CONECT   42   41   37   37   93                                       
CONECT   43   32   32                                                 
CONECT   44   36   36                                                 
CONECT   45   41                                                      
CONECT   46   32   48   94                                            
CONECT   47   50   51   95                                            
CONECT   48   46   50   49   96                                       
CONECT   49   48   64   60   60                                       
CONECT   50   48   47   97   98                                       
CONECT   51   47   52   61   61                                       
CONECT   52   51   53   99  100                                       
CONECT   53   52   54   58   58                                       
CONECT   54   55   55   53  101                                       
CONECT   55   62   54   54   56                                       
CONECT   56   55   63   57   57                                       
CONECT   57   56   56   58  102                                       
CONECT   58   53   53   57  103                                       
CONECT   59   62  104  105  106                                       
CONECT   60   49   49                                                 
CONECT   61   51   51                                                 
CONECT   62   59   55                                                 
CONECT   63   56  107                                                 
CONECT   64   49  108  109                                            
CONECT   65    3                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   42                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   50                                                      
CONECT   98   50                                                      
CONECT   99   52                                                      
CONECT  100   52                                                      
CONECT  101   54                                                      
CONECT  102   57                                                      
CONECT  103   58                                                      
CONECT  104   59                                                      
CONECT  105   59                                                      
CONECT  106   59                                                      
CONECT  107   63                                                      
CONECT  108   64                                                      
CONECT  109   64                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
