COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.993   1.934   1.593  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.098  -0.170   0.156  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.832  -0.301   0.725  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.806   1.009   0.315  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.070  -1.558   0.560  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.391  -2.980   0.319  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.401  -7.213  -0.069  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.707  -1.645   0.463  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.249   2.063   1.029  1.00  0.00           C  
HETATM   10  C   UNL     1       7.044   1.758   0.608  1.00  0.00           C  
HETATM   11  C   UNL     1       0.799  -5.033   0.052  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.615  -3.676   0.338  1.00  0.00           C  
HETATM   13  C   UNL     1       6.227   0.497   0.492  1.00  0.00           C  
HETATM   14  C   UNL     1       8.192   3.368   1.959  1.00  0.00           C  
HETATM   15  C   UNL     1       7.443   2.211   1.852  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.283   0.761   1.446  1.00  0.00           C  
HETATM   17  C   UNL     1       1.669  -1.068   0.419  1.00  0.00           C  
HETATM   18  C   UNL     1       3.943  -0.194   0.465  1.00  0.00           C  
HETATM   19  C   UNL     1       7.400   2.458  -0.529  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.495   2.082  -2.803  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.699   2.327  -5.160  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.242   0.737  -3.021  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.019   0.393  -0.660  1.00  0.00           C  
HETATM   24  C   UNL     1       8.154   3.612  -0.423  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.004  -0.104  -1.950  1.00  0.00           C  
HETATM   26  O   UNL     1       4.352  -1.332   0.337  1.00  0.00           O  
HETATM   27  O   UNL     1       4.815   0.828   0.555  1.00  0.00           O  
HETATM   28  C   UNL     1       8.552   4.065   0.821  1.00  0.00           C  
HETATM   29  N   UNL     1       2.618   0.044   0.517  1.00  0.00           N  
HETATM   30  C   UNL     1       0.240  -0.528   0.504  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.260   1.736  -0.436  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.504   2.583  -1.505  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.742   3.905  -1.286  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.690   4.358   0.068  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.729   2.911  -3.855  1.00  0.00           O  
HETATM   36  C   UNL     1       0.805  -3.674   0.178  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.041   1.141  -0.238  1.00  0.00           O  
HETATM   38 BR   UNL     1      -5.212   3.678   1.230  1.00  0.00          Br  
HETATM   39  N   UNL     1      -2.598  -2.754   0.489  1.00  0.00           N  
HETATM   40  C   UNL     1      -1.617  -5.065   0.211  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.409  -5.742   0.067  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.448  -7.830  -0.056  1.00  0.00           O  
HETATM   43  N   UNL     1       0.767  -7.870  -0.207  1.00  0.00           N  
HETATM   44  C   UNL     1       0.775  -9.329  -0.343  1.00  0.00           C  
HETATM   45  H   UNL     1      -2.565   2.757   2.148  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.526  -0.987  -0.407  1.00  0.00           H  
HETATM   47  H   UNL     1       1.732  -5.565  -0.058  1.00  0.00           H  
HETATM   48  H   UNL     1       6.444   0.010  -0.458  1.00  0.00           H  
HETATM   49  H   UNL     1       6.480  -0.176   1.311  1.00  0.00           H  
HETATM   50  H   UNL     1       8.503   3.722   2.930  1.00  0.00           H  
HETATM   51  H   UNL     1       7.168   1.661   2.740  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.302   0.664   1.888  1.00  0.00           H  
HETATM   53  H   UNL     1       1.808  -1.581  -0.533  1.00  0.00           H  
HETATM   54  H   UNL     1       1.843  -1.767   1.237  1.00  0.00           H  
HETATM   55  H   UNL     1       7.089   2.104  -1.501  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.901   3.096  -5.906  1.00  0.00           H  
HETATM   57  H   UNL     1       0.284   1.894  -5.341  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.458   1.548  -5.226  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.231   0.346  -4.028  1.00  0.00           H  
HETATM   60  H   UNL     1       8.433   4.159  -1.311  1.00  0.00           H  
HETATM   61  H   UNL     1       0.193  -1.152  -2.121  1.00  0.00           H  
HETATM   62  H   UNL     1       9.142   4.966   0.904  1.00  0.00           H  
HETATM   63  H   UNL     1       2.292   0.952   0.619  1.00  0.00           H  
HETATM   64  H   UNL     1       0.114   0.021   1.437  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.271   2.122   0.572  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.976   5.409   0.110  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.378   3.769   0.674  1.00  0.00           H  
HETATM   68  H   UNL     1       0.323   4.241   0.452  1.00  0.00           H  
HETATM   69  H   UNL     1       1.741  -3.136   0.166  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.763   0.861   0.341  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.548  -5.612   0.224  1.00  0.00           H  
HETATM   72  H   UNL     1       1.603  -7.377  -0.218  1.00  0.00           H  
HETATM   73  H   UNL     1       1.803  -9.679  -0.444  1.00  0.00           H  
HETATM   74  H   UNL     1       0.323  -9.778   0.541  1.00  0.00           H  
HETATM   75  H   UNL     1       0.206  -9.615  -1.227  1.00  0.00           H  
CONECT    1   16   16    9   45                                       
CONECT    2    3    3    4   46                                       
CONECT    3    5    2    2   16                                       
CONECT    4    2   37    9    9                                       
CONECT    5   39   39    8    3                                       
CONECT    6   36   36   12    8                                       
CONECT    7   43   42   42   41                                       
CONECT    8    6    5   30                                            
CONECT    9    4    4    1   38                                       
CONECT   10   13   19   19   15                                       
CONECT   11   41   41   36   47                                       
CONECT   12   40   40    6   39                                       
CONECT   13   27   10   48   49                                       
CONECT   14   15   15   28   50                                       
CONECT   15   10   14   14   51                                       
CONECT   16    3    1    1   52                                       
CONECT   17   29   30   53   54                                       
CONECT   18   26   26   29   27                                       
CONECT   19   10   10   24   55                                       
CONECT   20   32   32   22   35                                       
CONECT   21   35   56   57   58                                       
CONECT   22   25   25   20   59                                       
CONECT   23   30   31   31   25                                       
CONECT   24   19   28   28   60                                       
CONECT   25   23   22   22   61                                       
CONECT   26   18   18                                                 
CONECT   27   18   13                                                 
CONECT   28   24   24   14   62                                       
CONECT   29   17   18   63                                            
CONECT   30   17    8   23   64                                       
CONECT   31   23   23   32   65                                       
CONECT   32   31   33   20   20                                       
CONECT   33   34   32                                                 
CONECT   34   33   66   67   68                                       
CONECT   35   20   21                                                 
CONECT   36   11    6    6   69                                       
CONECT   37    4   70                                                 
CONECT   38    9                                                      
CONECT   39   12    5    5                                            
CONECT   40   41   12   12   71                                       
CONECT   41    7   11   11   40                                       
CONECT   42    7    7                                                 
CONECT   43   44    7   72                                            
CONECT   44   43   73   74   75                                       
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   40                                                      
CONECT   72   43                                                      
CONECT   73   44                                                      
CONECT   74   44                                                      
CONECT   75   44                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
