COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.460  -0.143  -0.081  1.00  0.00           C  
HETATM    2  C   UNL     1       1.071   3.311  -0.143  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.909  -0.557  -0.387  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.293  -0.194   1.246  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.802  -0.290   1.055  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.957  -0.199   2.146  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.590  -0.294   1.971  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.065  -0.466   0.704  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.573  -0.556   0.512  1.00  0.00           C  
HETATM   10  C   UNL     1       1.298   0.848   0.101  1.00  0.00           C  
HETATM   11  C   UNL     1       2.099  -0.291   0.120  1.00  0.00           C  
HETATM   12  C   UNL     1       3.987   1.126  -0.289  1.00  0.00           C  
HETATM   13  CA  UNL     1       1.898   2.096  -0.119  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.278  -0.469  -0.212  1.00  0.00           C  
HETATM   15  N   UNL     1       3.213   2.187  -0.302  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.181  -0.567  -1.380  1.00  0.00           N1+
HETATM   17  O   UNL     1      -0.041   0.752   0.293  1.00  0.00           O  
HETATM   18  O   UNL     1       1.587   4.392  -0.333  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.917  -1.328  -2.293  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.190   0.114  -1.428  1.00  0.00           O1-
HETATM   21 BR   UNL     1       4.596  -1.655  -0.066  1.00  0.00          Br  
HETATM   22  H   UNL     1       0.004   3.241   0.008  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.499  -0.692  -1.377  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.617   0.831   1.069  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.794  -0.860   0.543  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.549  -0.485   2.266  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.367  -0.059   3.135  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.930  -0.223   2.823  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.118  -0.990   1.402  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.355  -1.186  -0.351  1.00  0.00           H  
HETATM   31  H   UNL     1       1.668  -1.267   0.287  1.00  0.00           H  
HETATM   32  H   UNL     1       5.049   1.242  -0.442  1.00  0.00           H  
CONECT    1   11   21   12   12                                       
CONECT    2   13   18   18   22                                       
CONECT    3   14    8    8   23                                       
CONECT    4    5   24   25   26                                       
CONECT    5    4   14   14    6                                       
CONECT    6    5    7    7   27                                       
CONECT    7    6    6    8   28                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   17   29   30                                       
CONECT   10   17   11   11   13                                       
CONECT   11   10   10    1   31                                       
CONECT   12    1    1   15   32                                       
CONECT   13   10    2   15   15                                       
CONECT   14   16    5    5    3                                       
CONECT   15   13   13   12                                            
CONECT   16   20   19   19   14                                       
CONECT   17    9   10                                                 
CONECT   18    2    2                                                 
CONECT   19   16   16                                                 
CONECT   20   16                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
