COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.579   2.298   0.008  1.00  0.00           O  
HETATM    2  C   UNL     1       9.149   1.161   0.003  1.00  0.00           C  
HETATM    3  N   UNL     1      10.002   0.117   0.008  1.00  0.00           N  
HETATM    4  C   UNL     1       7.691   0.923  -0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       7.196  -0.384   0.003  1.00  0.00           C  
HETATM    6  C   UNL     1       5.838  -0.605   0.004  1.00  0.00           C  
HETATM    7  C   UNL     1       6.806   2.004  -0.007  1.00  0.00           C  
HETATM    8  C   UNL     1       5.448   1.781  -0.012  1.00  0.00           C  
HETATM    9  C   UNL     1       4.955   0.476  -0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       3.492   0.237  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       2.609   1.317  -0.007  1.00  0.00           C  
HETATM   12  C   UNL     1       1.250   1.095  -0.007  1.00  0.00           C  
HETATM   13  C   UNL     1       2.998  -1.068  -0.002  1.00  0.00           C  
HETATM   14  C   UNL     1       1.639  -1.290  -0.002  1.00  0.00           C  
HETATM   15  C   UNL     1       0.756  -0.210  -0.002  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.706  -0.449  -0.002  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.173  -1.688  -0.002  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.490  -1.926  -0.001  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.230  -3.102  -0.002  1.00  0.00           C  
HETATM   20 BR   UNL     1      -2.533  -4.860  -0.002  1.00  0.00          Br  
HETATM   21  C   UNL     1      -1.595   0.641   0.005  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.940   0.405   0.011  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.390  -0.890   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.675  -1.444   0.002  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.574  -2.753  -0.001  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.834   1.456   0.012  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.343   2.836   0.024  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.512   3.786   0.023  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.064   4.221   1.218  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.140   5.095   1.169  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.622   5.501  -0.061  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.072   5.066  -1.178  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.045   4.239  -1.169  1.00  0.00           C  
HETATM   34  H   UNL     1      10.960   0.274   0.015  1.00  0.00           H  
HETATM   35  H   UNL     1       9.659  -0.790   0.004  1.00  0.00           H  
HETATM   36  H   UNL     1       7.880  -1.220   0.007  1.00  0.00           H  
HETATM   37  H   UNL     1       5.455  -1.615   0.008  1.00  0.00           H  
HETATM   38  H   UNL     1       7.188   3.014  -0.007  1.00  0.00           H  
HETATM   39  H   UNL     1       4.764   2.617  -0.015  1.00  0.00           H  
HETATM   40  H   UNL     1       2.991   2.327  -0.010  1.00  0.00           H  
HETATM   41  H   UNL     1       0.566   1.931  -0.011  1.00  0.00           H  
HETATM   42  H   UNL     1       3.682  -1.904  -0.003  1.00  0.00           H  
HETATM   43  H   UNL     1       1.257  -2.301  -0.003  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.218   1.653   0.005  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.402  -3.447   0.000  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.788   1.281   0.005  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.742   3.000   0.918  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.731   3.012  -0.862  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.667   3.886   2.165  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.595   5.454   2.080  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.459   6.182  -0.107  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.622   3.905  -2.105  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3    2   34   35                                            
CONECT    4    5    5    7    2                                       
CONECT    5    6    4    4   36                                       
CONECT    6    9    9    5   37                                       
CONECT    7    8    8    4   38                                       
CONECT    8    9    7    7   39                                       
CONECT    9   10    6    6    8                                       
CONECT   10   13   13   11    9                                       
CONECT   11   12   12   10   40                                       
CONECT   12   15   11   11   41                                       
CONECT   13   14   10   10   42                                       
CONECT   14   15   15   13   43                                       
CONECT   15   16   14   14   12                                       
CONECT   16   21   17   17   15                                       
CONECT   17   18   16   16                                            
CONECT   18   23   19   19   17                                       
CONECT   19   25   18   18   20                                       
CONECT   20   19                                                      
CONECT   21   22   22   16   44                                       
CONECT   22   26   23   21   21                                       
CONECT   23   24   22   18                                            
CONECT   24   25   25   23                                            
CONECT   25   24   24   19   45                                       
CONECT   26   27   22   46                                            
CONECT   27   28   26   47   48                                       
CONECT   28   29   29   33   27                                       
CONECT   29   30   28   28   49                                       
CONECT   30   31   31   29   50                                       
CONECT   31   30   30   32   51                                       
CONECT   32   31   33   33                                            
CONECT   33   32   32   28   52                                       
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   33                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
