COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.525   3.423  -0.127  1.00  0.00           N  
HETATM    2  C   UNL     1       8.099   2.113  -0.258  1.00  0.00           C  
HETATM    3  N   UNL     1       8.960   1.143  -0.550  1.00  0.00           N  
HETATM    4  C   UNL     1       8.558  -0.109  -0.675  1.00  0.00           C  
HETATM    5  N   UNL     1       7.303  -0.471  -0.522  1.00  0.00           N  
HETATM    6  C   UNL     1       6.366   0.429  -0.228  1.00  0.00           C  
HETATM    7  C   UNL     1       6.749   1.774  -0.079  1.00  0.00           C  
HETATM    8  C   UNL     1       5.529   2.514   0.237  1.00  0.00           C  
HETATM    9  C   UNL     1       4.527   1.619   0.260  1.00  0.00           C  
HETATM   10  N   UNL     1       5.016   0.368  -0.012  1.00  0.00           N  
HETATM   11  C   UNL     1       4.211  -0.854  -0.072  1.00  0.00           C  
HETATM   12  C   UNL     1       3.038  -0.691  -1.070  1.00  0.00           C  
HETATM   13  C   UNL     1       1.990  -1.719  -0.595  1.00  0.00           C  
HETATM   14  C   UNL     1       0.581  -1.149  -0.769  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.450  -2.222  -0.412  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.838  -1.661  -0.584  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.479  -1.781  -1.815  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.733  -1.285  -2.001  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.391  -0.644  -0.940  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.688  -0.113  -1.096  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.267   0.501  -0.026  1.00  0.00           C  
HETATM   22 BR   UNL     1      -8.005   1.230  -0.180  1.00  0.00          Br  
HETATM   23  C   UNL     1      -5.572   0.591   1.189  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.175   1.219   2.269  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.361   0.093   1.328  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.742  -0.521   0.313  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.449  -1.050   0.468  1.00  0.00           C  
HETATM   28  C   UNL     1       2.273  -1.977   0.896  1.00  0.00           C  
HETATM   29  O   UNL     1       2.587  -3.356   1.102  1.00  0.00           O  
HETATM   30  C   UNL     1       3.483  -1.098   1.274  1.00  0.00           C  
HETATM   31  O   UNL     1       4.338  -1.789   2.187  1.00  0.00           O  
HETATM   32  H   UNL     1       9.462   3.643  -0.250  1.00  0.00           H  
HETATM   33  H   UNL     1       7.886   4.122   0.082  1.00  0.00           H  
HETATM   34  H   UNL     1       9.290  -0.867  -0.914  1.00  0.00           H  
HETATM   35  H   UNL     1       5.448   3.576   0.417  1.00  0.00           H  
HETATM   36  H   UNL     1       3.493   1.850   0.465  1.00  0.00           H  
HETATM   37  H   UNL     1       4.830  -1.711  -0.337  1.00  0.00           H  
HETATM   38  H   UNL     1       2.632   0.319  -1.019  1.00  0.00           H  
HETATM   39  H   UNL     1       3.365  -0.921  -2.084  1.00  0.00           H  
HETATM   40  H   UNL     1       2.092  -2.645  -1.161  1.00  0.00           H  
HETATM   41  H   UNL     1       0.453  -0.289  -0.112  1.00  0.00           H  
HETATM   42  H   UNL     1       0.440  -0.840  -1.805  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.322  -3.082  -1.069  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.309  -2.531   0.623  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.974  -2.274  -2.633  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.219  -1.383  -2.961  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.208  -0.191  -2.039  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.066   1.589   2.179  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.704   1.287   3.115  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.939  -0.965   1.416  1.00  0.00           H  
HETATM   51  H   UNL     1       1.407  -1.698   1.494  1.00  0.00           H  
HETATM   52  H   UNL     1       2.776  -3.583   2.023  1.00  0.00           H  
HETATM   53  H   UNL     1       3.149  -0.154   1.703  1.00  0.00           H  
HETATM   54  H   UNL     1       3.933  -1.969   3.046  1.00  0.00           H  
CONECT    1    2   32   33                                            
CONECT    2    7    1    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    5    5    3   34                                       
CONECT    5    6    4    4                                            
CONECT    6   10    7    7    5                                       
CONECT    7    8    6    6    2                                       
CONECT    8    9    9    7   35                                       
CONECT    9    8    8   10   36                                       
CONECT   10    9   11    6                                            
CONECT   11   12   10   30   37                                       
CONECT   12   13   11   38   39                                       
CONECT   13   14   12   28   40                                       
CONECT   14   15   13   41   42                                       
CONECT   15   16   14   43   44                                       
CONECT   16   27   27   17   15                                       
CONECT   17   18   18   16   45                                       
CONECT   18   19   17   17   46                                       
CONECT   19   20   20   26   18                                       
CONECT   20   21   19   19   47                                       
CONECT   21   22   23   23   20                                       
CONECT   22   21                                                      
CONECT   23   24   21   21   25                                       
CONECT   24   23   48   49                                            
CONECT   25   23   26   26                                            
CONECT   26   25   25   19   27                                       
CONECT   27   26   16   16   50                                       
CONECT   28   13   30   29   51                                       
CONECT   29   28   52                                                 
CONECT   30   11   28   31   53                                       
CONECT   31   30   54                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
