COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.394   2.477   0.727  1.00  0.00           C  
HETATM    2  C   UNL     1       4.601   1.233   0.419  1.00  0.00           C  
HETATM    3  C   UNL     1       5.115   0.061  -0.027  1.00  0.00           C  
HETATM    4  C   UNL     1       4.055  -0.838  -0.189  1.00  0.00           C  
HETATM    5  C   UNL     1       2.902  -0.174   0.171  1.00  0.00           C  
HETATM    6  N   UNL     1       3.258   1.101   0.548  1.00  0.00           N  
HETATM    7  C   UNL     1       1.543  -0.726   0.159  1.00  0.00           C  
HETATM    8  O   UNL     1       1.357  -1.876  -0.193  1.00  0.00           O  
HETATM    9  N   UNL     1       0.501   0.039   0.537  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.856  -0.513   0.525  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.729   0.251   1.525  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.159  -0.289   1.464  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.687  -0.128   0.103  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.893  -0.891  -0.869  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.454  -0.370  -0.877  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.028  -0.488   0.043  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.987   0.474  -0.260  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.318   0.102  -0.317  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.646  -1.224  -0.068  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.643  -2.126   0.226  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.381  -1.744   0.268  1.00  0.00           N  
HETATM   22  N   UNL     1      -5.622   1.758  -0.495  1.00  0.00           N1+
HETATM   23  O   UNL     1      -6.474   2.613  -0.659  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.442   2.056  -0.542  1.00  0.00           O1-
HETATM   25 BR   UNL     1       6.940  -0.296  -0.371  1.00  0.00          Br  
HETATM   26  H   UNL     1       5.710   2.457   1.770  1.00  0.00           H  
HETATM   27  H   UNL     1       6.272   2.516   0.082  1.00  0.00           H  
HETATM   28  H   UNL     1       4.774   3.355   0.551  1.00  0.00           H  
HETATM   29  H   UNL     1       4.127  -1.860  -0.531  1.00  0.00           H  
HETATM   30  H   UNL     1       2.649   1.792   0.853  1.00  0.00           H  
HETATM   31  H   UNL     1       0.649   0.956   0.818  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.823  -1.567   0.801  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.332   0.117   2.531  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.729   1.311   1.272  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.160  -1.346   1.730  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.786   0.262   2.164  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.895  -1.945  -0.591  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.327  -0.776  -1.862  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.450   0.680  -1.169  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.861  -0.948  -1.587  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.084   0.826  -0.549  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.676  -1.547  -0.105  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.894  -3.158   0.420  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    3    3    1    6                                       
CONECT    3   25    4    2    2                                       
CONECT    4    3    5    5   29                                       
CONECT    5    4    4    6    7                                       
CONECT    6    2    5   30                                            
CONECT    7    5    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   31                                            
CONECT   10    9   11   15   32                                       
CONECT   11   10   12   33   34                                       
CONECT   12   11   13   35   36                                       
CONECT   13   16   12   14                                            
CONECT   14   15   13   37   38                                       
CONECT   15   10   14   39   40                                       
CONECT   16   17   13   21   21                                       
CONECT   17   22   18   18   16                                       
CONECT   18   17   17   19   41                                       
CONECT   19   18   20   20   42                                       
CONECT   20   19   19   21   43                                       
CONECT   21   16   16   20                                            
CONECT   22   24   23   23   17                                       
CONECT   23   22   22                                                 
CONECT   24   22                                                      
CONECT   25    3                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
