COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.276  -0.332  -0.004  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.000   0.193  -0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       0.104  -0.660  -0.003  1.00  0.00           C  
HETATM    4  C   UNL     1       1.599   3.455  -0.005  1.00  0.00           C  
HETATM    5  C   UNL     1       1.475  -0.103  -0.004  1.00  0.00           C  
HETATM    6  C   UNL     1       1.686   1.288  -0.004  1.00  0.00           C  
HETATM    7  C   UNL     1       3.011   1.761   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.767  -0.415   0.005  1.00  0.00           C  
HETATM    9  N   UNL     1       4.838  -1.294   0.007  1.00  0.00           N  
HETATM   10  N   UNL     1       2.536  -0.906  -0.002  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.465  -1.704  -0.002  1.00  0.00           C  
HETATM   12  N   UNL     1       2.924   3.131   0.002  1.00  0.00           N  
HETATM   13 BR   UNL     1      -3.771   0.825   0.003  1.00  0.00          Br  
HETATM   14  C   UNL     1      -1.380  -2.559  -0.002  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.092  -2.046  -0.002  1.00  0.00           C  
HETATM   16  O   UNL     1       0.976  -2.885  -0.002  1.00  0.00           O  
HETATM   17  C   UNL     1       0.699  -4.287   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       4.010   0.887   0.004  1.00  0.00           N  
HETATM   19  N   UNL     1       0.875   2.373  -0.005  1.00  0.00           N  
HETATM   20  H   UNL     1      -0.856   1.263  -0.006  1.00  0.00           H  
HETATM   21  H   UNL     1       1.208   4.462  -0.005  1.00  0.00           H  
HETATM   22  H   UNL     1       4.679  -2.251   0.002  1.00  0.00           H  
HETATM   23  H   UNL     1       5.746  -0.953   0.012  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.467  -2.109  -0.002  1.00  0.00           H  
HETATM   25  H   UNL     1       3.667   3.753   0.006  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.535  -3.628   0.000  1.00  0.00           H  
HETATM   27  H   UNL     1       1.637  -4.842   0.000  1.00  0.00           H  
HETATM   28  H   UNL     1       0.125  -4.543   0.890  1.00  0.00           H  
HETATM   29  H   UNL     1       0.124  -4.545  -0.890  1.00  0.00           H  
CONECT    1   13    2    2   11                                       
CONECT    2    1    1    3   20                                       
CONECT    3    2    5   15   15                                       
CONECT    4   12   19   19   21                                       
CONECT    5   10    3    6    6                                       
CONECT    6    5    5    7   19                                       
CONECT    7   18   18    6   12                                       
CONECT    8    9   10   10   18                                       
CONECT    9    8   22   23                                            
CONECT   10    8    8    5                                            
CONECT   11    1   14   14   24                                       
CONECT   12    7    4   25                                            
CONECT   13    1                                                      
CONECT   14   11   11   15   26                                       
CONECT   15    3    3   14   16                                       
CONECT   16   15   17                                                 
CONECT   17   16   27   28   29                                       
CONECT   18    8    7    7                                            
CONECT   19    6    4    4                                            
CONECT   20    2                                                      
CONECT   21    4                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   14                                                      
CONECT   27   17                                                      
CONECT   28   17                                                      
CONECT   29   17                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
