COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.770  -0.823   0.003  1.00  0.00           N  
HETATM    2  C   UNL     1       2.699   1.976   0.003  1.00  0.00           C  
HETATM    3  C   UNL     1       1.459   1.198   0.003  1.00  0.00           C  
HETATM    4  C   UNL     1       0.210   1.827   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.929   1.073   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.857  -0.315   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       1.536  -0.208   0.003  1.00  0.00           C  
HETATM    8  C   UNL     1       2.848  -2.286   0.003  1.00  0.00           C  
HETATM    9  C   UNL     1       3.903  -0.099  -0.002  1.00  0.00           C  
HETATM   10  C   UNL     1       3.881   1.312  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       0.364  -0.956   0.002  1.00  0.00           C  
HETATM   12 BR   UNL     1      -2.450  -1.334  -0.001  1.00  0.00          Br  
HETATM   13  N   UNL     1      -2.251   1.739  -0.001  1.00  0.00           N1+
HETATM   14  O   UNL     1      -2.320   2.955  -0.002  1.00  0.00           O1-
HETATM   15  O   UNL     1      -3.269   1.071   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       4.977  -0.676  -0.006  1.00  0.00           O  
HETATM   17  H   UNL     1       2.673   3.056   0.002  1.00  0.00           H  
HETATM   18  H   UNL     1       0.146   2.905   0.002  1.00  0.00           H  
HETATM   19  H   UNL     1       3.893  -2.594  -0.002  1.00  0.00           H  
HETATM   20  H   UNL     1       2.358  -2.676   0.895  1.00  0.00           H  
HETATM   21  H   UNL     1       2.350  -2.676  -0.885  1.00  0.00           H  
HETATM   22  H   UNL     1       4.809   1.865  -0.002  1.00  0.00           H  
HETATM   23  H   UNL     1       0.410  -2.035   0.002  1.00  0.00           H  
CONECT    1    7    8    9                                            
CONECT    2    3   10   10   17                                       
CONECT    3    4    4    7    2                                       
CONECT    4    5    3    3   18                                       
CONECT    5   13    6    6    4                                       
CONECT    6   12    5    5   11                                       
CONECT    7   11   11    3    1                                       
CONECT    8    1   19   20   21                                       
CONECT    9    1   10   16   16                                       
CONECT   10    2    2    9   22                                       
CONECT   11    6    7    7   23                                       
CONECT   12    6                                                      
CONECT   13   14   15   15    5                                       
CONECT   14   13                                                      
CONECT   15   13   13                                                 
CONECT   16    9    9                                                 
CONECT   17    2                                                      
CONECT   18    4                                                      
CONECT   19    8                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
