COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.614   1.293  -1.582  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.227   2.486  -0.962  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.082   3.301  -1.706  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.652   4.413  -1.122  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.377   4.722   0.199  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.529   3.917   0.942  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.958   2.799   0.371  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.576   5.293  -1.924  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.853   1.019  -2.742  1.00  0.00           O  
HETATM   10 BR   UNL     1      -5.162   6.248   0.992  1.00  0.00          Br  
HETATM   11  N   UNL     1      -1.784   0.511  -0.863  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.171  -0.669  -1.479  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.338  -0.243  -2.660  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.533   0.834  -3.183  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.268  -1.627  -1.948  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.024  -2.148  -0.753  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.603  -3.302  -0.118  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.136  -1.471  -0.290  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.296  -3.780   0.978  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.830  -1.949   0.806  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.411  -3.105   1.438  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.168  -3.627   2.633  1.00  0.00           C  
HETATM   23  F   UNL     1      -4.291  -4.321   3.473  1.00  0.00           F  
HETATM   24  F   UNL     1      -5.733  -2.555   3.331  1.00  0.00           F  
HETATM   25  P   UNL     1      -6.489  -4.751   2.072  1.00  0.00           P  
HETATM   26  O   UNL     1      -7.288  -5.193   3.236  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.442  -3.981   1.028  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.832  -6.034   1.353  1.00  0.00           O  
HETATM   29  N   UNL     1       0.625  -1.058  -3.135  1.00  0.00           N  
HETATM   30  N   UNL     1       5.667  -1.219  -1.792  1.00  0.00           N  
HETATM   31  C   UNL     1       1.435  -0.644  -4.282  1.00  0.00           C  
HETATM   32  C   UNL     1       0.713  -0.991  -5.559  1.00  0.00           C  
HETATM   33  C   UNL     1       2.782  -1.370  -4.245  1.00  0.00           C  
HETATM   34  C   UNL     1       3.568  -0.922  -3.011  1.00  0.00           C  
HETATM   35  C   UNL     1       4.914  -1.648  -2.973  1.00  0.00           C  
HETATM   36  C   UNL     1       6.891  -1.730  -1.551  1.00  0.00           C  
HETATM   37  C   UNL     1       7.651  -1.297  -0.359  1.00  0.00           C  
HETATM   38  C   UNL     1       8.919  -1.824  -0.106  1.00  0.00           C  
HETATM   39  C   UNL     1       9.623  -1.416   1.008  1.00  0.00           C  
HETATM   40  C   UNL     1       9.075  -0.486   1.874  1.00  0.00           C  
HETATM   41  C   UNL     1       7.819   0.041   1.630  1.00  0.00           C  
HETATM   42  C   UNL     1       7.107  -0.355   0.515  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.372  -1.531  -5.514  1.00  0.00           O  
HETATM   44  O   UNL     1       7.370  -2.546  -2.313  1.00  0.00           O  
HETATM   45  I   UNL     1       7.001   1.447   2.949  1.00  0.00           I  
HETATM   46  N   UNL     1       1.273  -0.701  -6.750  1.00  0.00           N  
HETATM   47  H   UNL     1      -4.297   3.061  -2.737  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.318   4.164   1.972  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.297   2.173   0.952  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.600   4.937  -1.818  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.507   6.318  -1.560  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.287   5.261  -2.975  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.593   0.729   0.063  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.537  -1.172  -0.749  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.954  -1.098  -2.610  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.816  -2.461  -2.485  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.731  -3.829  -0.478  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.463  -0.567  -0.783  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.967  -4.681   1.474  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.698  -1.420   1.169  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.168  -4.520   0.687  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.258  -5.816   0.607  1.00  0.00           H  
HETATM   63  H   UNL     1       0.781  -1.919  -2.716  1.00  0.00           H  
HETATM   64  H   UNL     1       5.285  -0.567  -1.184  1.00  0.00           H  
HETATM   65  H   UNL     1       1.602   0.433  -4.240  1.00  0.00           H  
HETATM   66  H   UNL     1       2.613  -2.446  -4.197  1.00  0.00           H  
HETATM   67  H   UNL     1       3.349  -1.130  -5.144  1.00  0.00           H  
HETATM   68  H   UNL     1       3.737   0.154  -3.059  1.00  0.00           H  
HETATM   69  H   UNL     1       3.001  -1.161  -2.112  1.00  0.00           H  
HETATM   70  H   UNL     1       5.482  -1.408  -3.873  1.00  0.00           H  
HETATM   71  H   UNL     1       4.746  -2.724  -2.926  1.00  0.00           H  
HETATM   72  H   UNL     1       9.347  -2.550  -0.781  1.00  0.00           H  
HETATM   73  H   UNL     1      10.603  -1.823   1.204  1.00  0.00           H  
HETATM   74  H   UNL     1       9.629  -0.174   2.747  1.00  0.00           H  
HETATM   75  H   UNL     1       6.127   0.057   0.325  1.00  0.00           H  
HETATM   76  H   UNL     1       2.141  -0.269  -6.786  1.00  0.00           H  
HETATM   77  H   UNL     1       0.808  -0.925  -7.571  1.00  0.00           H  
CONECT    1    2   11    9    9                                       
CONECT    2    3    3    7    1                                       
CONECT    3    4    2    2   47                                       
CONECT    4    8    5    5    3                                       
CONECT    5   10    4    4    6                                       
CONECT    6    5    7    7   48                                       
CONECT    7    6    6    2   49                                       
CONECT    8    4   50   51   52                                       
CONECT    9    1    1                                                 
CONECT   10    5                                                      
CONECT   11    1   12   53                                            
CONECT   12   11   13   15   54                                       
CONECT   13   29   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   55   56                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   19   57                                       
CONECT   18   16   20   20   58                                       
CONECT   19   17   21   21   59                                       
CONECT   20   18   18   21   60                                       
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   61                                                 
CONECT   28   25   62                                                 
CONECT   29   31   13   63                                            
CONECT   30   36   35   64                                            
CONECT   31   33   32   29   65                                       
CONECT   32   46   31   43   43                                       
CONECT   33   34   31   66   67                                       
CONECT   34   35   33   68   69                                       
CONECT   35   30   34   70   71                                       
CONECT   36   37   44   44   30                                       
CONECT   37   42   42   38   36                                       
CONECT   38   39   39   37   72                                       
CONECT   39   40   38   38   73                                       
CONECT   40   41   41   39   74                                       
CONECT   41   45   40   40   42                                       
CONECT   42   41   37   37   75                                       
CONECT   43   32   32                                                 
CONECT   44   36   36                                                 
CONECT   45   41                                                      
CONECT   46   32   76   77                                            
CONECT   47    3                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   42                                                      
CONECT   76   46                                                      
CONECT   77   46                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
