COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.996  -0.193   2.052  1.00  0.00           O  
HETATM    2  N   UNL     1       4.122   2.754   1.649  1.00  0.00           N  
HETATM    3  O   UNL     1       3.108   2.220   2.034  1.00  0.00           O  
HETATM    4  C   UNL     1       1.292  -0.375   1.081  1.00  0.00           C  
HETATM    5  C   UNL     1       0.442   0.749   0.546  1.00  0.00           C  
HETATM    6  C   UNL     1       0.652   1.999   1.401  1.00  0.00           C  
HETATM    7  C   UNL     1       2.533   3.290   0.248  1.00  0.00           C  
HETATM    8  C   UNL     1       3.913   3.447   0.557  1.00  0.00           C  
HETATM    9  C   UNL     1       4.913   4.236  -0.205  1.00  0.00           C  
HETATM   10  C   UNL     1       6.236   4.292   0.229  1.00  0.00           C  
HETATM   11  C   UNL     1       7.162   5.027  -0.483  1.00  0.00           C  
HETATM   12  C   UNL     1       6.779   5.708  -1.624  1.00  0.00           C  
HETATM   13  C   UNL     1       5.467   5.656  -2.059  1.00  0.00           C  
HETATM   14  C   UNL     1       4.534   4.919  -1.358  1.00  0.00           C  
HETATM   15  C   UNL     1       2.067   2.490   1.234  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.032   0.340   0.593  1.00  0.00           C  
HETATM   17  P   UNL     1      -2.004   1.451  -0.478  1.00  0.00           P  
HETATM   18  O   UNL     1      -1.512   1.293  -2.003  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.812   2.851  -0.040  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.762   1.016  -0.362  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.301   0.081  -1.225  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.640  -0.251  -1.136  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.440   0.354  -0.184  1.00  0.00           C  
HETATM   24 BR   UNL     1      -8.272  -0.100  -0.062  1.00  0.00          Br  
HETATM   25  C   UNL     1      -5.900   1.290   0.680  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.560   1.617   0.594  1.00  0.00           C  
HETATM   27  N   UNL     1       1.269  -1.582   0.481  1.00  0.00           N  
HETATM   28  C   UNL     1       2.095  -2.674   1.002  1.00  0.00           C  
HETATM   29  C   UNL     1       2.384  -3.656  -0.104  1.00  0.00           C  
HETATM   30  O   UNL     1       1.944  -3.463  -1.217  1.00  0.00           O  
HETATM   31  C   UNL     1       1.347  -3.385   2.132  1.00  0.00           C  
HETATM   32  N   UNL     1       3.132  -4.749   0.144  1.00  0.00           N  
HETATM   33  C   UNL     1       3.414  -5.704  -0.931  1.00  0.00           C  
HETATM   34  C   UNL     1       3.697  -7.060  -0.337  1.00  0.00           C  
HETATM   35  O   UNL     1       3.667  -7.214   0.865  1.00  0.00           O  
HETATM   36  C   UNL     1       4.632  -5.231  -1.727  1.00  0.00           C  
HETATM   37  N   UNL     1       3.984  -8.101  -1.143  1.00  0.00           N  
HETATM   38  H   UNL     1       0.728   0.961  -0.485  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.042   2.777   1.084  1.00  0.00           H  
HETATM   40  H   UNL     1       0.473   1.757   2.449  1.00  0.00           H  
HETATM   41  H   UNL     1       1.984   3.713  -0.581  1.00  0.00           H  
HETATM   42  H   UNL     1       6.536   3.761   1.120  1.00  0.00           H  
HETATM   43  H   UNL     1       8.188   5.071  -0.148  1.00  0.00           H  
HETATM   44  H   UNL     1       7.507   6.283  -2.178  1.00  0.00           H  
HETATM   45  H   UNL     1       5.174   6.186  -2.953  1.00  0.00           H  
HETATM   46  H   UNL     1       3.510   4.879  -1.698  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.136  -0.686   0.241  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.396   0.413   1.617  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.609   0.398  -2.356  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.676  -0.391  -1.969  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.061  -0.981  -1.811  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.525   1.762   1.424  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.137   2.345   1.271  1.00  0.00           H  
HETATM   54  H   UNL     1       0.705  -1.727  -0.295  1.00  0.00           H  
HETATM   55  H   UNL     1       3.032  -2.270   1.384  1.00  0.00           H  
HETATM   56  H   UNL     1       1.138  -2.674   2.932  1.00  0.00           H  
HETATM   57  H   UNL     1       0.410  -3.788   1.750  1.00  0.00           H  
HETATM   58  H   UNL     1       1.962  -4.197   2.520  1.00  0.00           H  
HETATM   59  H   UNL     1       3.484  -4.904   1.035  1.00  0.00           H  
HETATM   60  H   UNL     1       2.550  -5.770  -1.593  1.00  0.00           H  
HETATM   61  H   UNL     1       4.841  -5.941  -2.527  1.00  0.00           H  
HETATM   62  H   UNL     1       4.427  -4.250  -2.156  1.00  0.00           H  
HETATM   63  H   UNL     1       5.495  -5.165  -1.065  1.00  0.00           H  
HETATM   64  H   UNL     1       4.008  -7.978  -2.105  1.00  0.00           H  
HETATM   65  H   UNL     1       4.166  -8.974  -0.761  1.00  0.00           H  
CONECT    1    4    4                                                 
CONECT    2    8    8    3                                            
CONECT    3    2   15                                                 
CONECT    4    1    1   27    5                                       
CONECT    5    4    6   16   38                                       
CONECT    6   15    5   39   40                                       
CONECT    7    8   15   15   41                                       
CONECT    8    2    2    9    7                                       
CONECT    9   14    8   10   10                                       
CONECT   10    9    9   11   42                                       
CONECT   11   12   12   10   43                                       
CONECT   12   13   11   11   44                                       
CONECT   13   14   14   12   45                                       
CONECT   14   13   13    9   46                                       
CONECT   15    3    7    7    6                                       
CONECT   16    5   17   47   48                                       
CONECT   17   16   19   19   18                                       
CONECT   17   20                                                      
CONECT   18   17   49                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   21   26                                       
CONECT   21   20   20   22   50                                       
CONECT   22   21   23   23   51                                       
CONECT   23   22   22   25   24                                       
CONECT   24   23                                                      
CONECT   25   26   26   23   52                                       
CONECT   26   20   25   25   53                                       
CONECT   27   28    4   54                                            
CONECT   28   29   31   27   55                                       
CONECT   29   32   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31   28   56   57   58                                       
CONECT   32   33   29   59                                            
CONECT   33   36   34   32   60                                       
CONECT   34   35   35   33   37                                       
CONECT   35   34   34                                                 
CONECT   36   33   61   62   63                                       
CONECT   37   34   64   65                                            
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
