COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.870   0.470  -0.085  1.00  0.00           C  
HETATM    2  C   UNL     1       2.518  -0.872   0.203  1.00  0.00           C  
HETATM    3  C   UNL     1       3.126  -0.126   1.240  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.006   1.397  -1.465  1.00  0.00           O1-
HETATM    5  N   UNL     1      -0.001   0.999  -0.209  1.00  0.00           N1+
HETATM    6  O   UNL     1       0.000   1.887   0.763  1.00  0.00           O  
HETATM    7  C   UNL     1       0.002  -0.447   0.108  1.00  0.00           C  
HETATM    8  C   UNL     1       1.112  -1.267   0.292  1.00  0.00           C  
HETATM    9  N   UNL     1       0.623  -2.525   0.574  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.662  -2.500   0.568  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.109  -1.277   0.294  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.525  -0.867   0.208  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.134   0.817  -0.157  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.111  -0.077   0.037  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.824  -1.388   0.319  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.546  -1.794   0.416  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.033  -2.080   0.470  1.00  0.00           N  
HETATM   18  C   UNL     1      -7.049  -1.215   0.286  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.236  -1.483   0.346  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.500   0.053   0.012  1.00  0.00           C  
HETATM   21 BR   UNL     1      -7.469   1.641  -0.329  1.00  0.00          Br  
HETATM   22  N   UNL     1       4.388   0.216   1.136  1.00  0.00           N  
HETATM   23  C   UNL     1       5.119  -0.126   0.068  1.00  0.00           C  
HETATM   24  N   UNL     1       4.579  -0.849  -0.963  1.00  0.00           N  
HETATM   25  C   UNL     1       3.295  -1.223  -0.919  1.00  0.00           C  
HETATM   26  N   UNL     1       5.558  -1.065  -1.942  1.00  0.00           N  
HETATM   27  C   UNL     1       6.710  -0.490  -1.547  1.00  0.00           C  
HETATM   28  O   UNL     1       7.763  -0.488  -2.157  1.00  0.00           O  
HETATM   29  C   UNL     1       6.459   0.124  -0.239  1.00  0.00           C  
HETATM   30 BR   UNL     1       7.702   1.079   0.819  1.00  0.00          Br  
HETATM   31  H   UNL     1      -2.096   1.206  -0.245  1.00  0.00           H  
HETATM   32  H   UNL     1       2.555   0.162   2.110  1.00  0.00           H  
HETATM   33  H   UNL     1       1.166  -3.310   0.749  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.313  -2.824   0.642  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.123  -3.024   0.673  1.00  0.00           H  
HETATM   36  H   UNL     1       2.862  -1.793  -1.729  1.00  0.00           H  
HETATM   37  H   UNL     1       5.427  -1.551  -2.771  1.00  0.00           H  
CONECT    1   12   13   13   31                                       
CONECT    2   25   25    3    8                                       
CONECT    3   22   22    2   32                                       
CONECT    4    5                                                      
CONECT    5    7    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7    8    8   11    5                                       
CONECT    8    9    2    7    7                                       
CONECT    9    8   10   33                                            
CONECT   10    9   11   11                                            
CONECT   11   10   10    7   12                                       
CONECT   12   11    1   16   16                                       
CONECT   13    1    1   14                                            
CONECT   14   13   15   20   20                                       
CONECT   15   16   14   17                                            
CONECT   16   12   12   15   34                                       
CONECT   17   15   18   35                                            
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   14   14   18   21                                       
CONECT   21   20                                                      
CONECT   22   23    3    3                                            
CONECT   23   29   29   24   22                                       
CONECT   24   26   23   25                                            
CONECT   25   24    2    2   36                                       
CONECT   26   27   24   37                                            
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   23   23                                       
CONECT   30   29                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    9                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   25                                                      
CONECT   37   26                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
