COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.955   0.793   0.766  1.00  0.00           N  
HETATM    2  C   UNL     1       3.706   1.091  -0.877  1.00  0.00           C  
HETATM    3  C   UNL     1       3.014   0.278   0.006  1.00  0.00           C  
HETATM    4  C   UNL     1       1.149   1.740   0.246  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.052   2.216   1.021  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.033   1.083   1.173  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.988  -0.670   2.496  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.875   0.753   0.128  1.00  0.00           C  
HETATM    9  N   UNL     1       4.700   0.610  -1.599  1.00  0.00           N  
HETATM   10  C   UNL     1       3.388  -1.064   0.126  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.833  -0.998   1.453  1.00  0.00           C  
HETATM   12  O   UNL     1       1.391   2.209  -0.846  1.00  0.00           O  
HETATM   13  C   UNL     1       4.445  -1.525  -0.650  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.088   0.370   2.356  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.776  -0.288   0.267  1.00  0.00           C  
HETATM   16  C   UNL     1       3.187  -3.250   1.037  1.00  0.00           C  
HETATM   17  O   UNL     1       2.736  -1.895   0.980  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.674   3.294   0.319  1.00  0.00           O  
HETATM   19 BR   UNL     1      -3.928  -0.740  -1.162  1.00  0.00          Br  
HETATM   20  C   UNL     1       5.076  -0.651  -1.514  1.00  0.00           C  
HETATM   21  H   UNL     1       1.799   0.464   1.665  1.00  0.00           H  
HETATM   22  H   UNL     1       3.426   2.129  -0.979  1.00  0.00           H  
HETATM   23  H   UNL     1       0.264   2.558   2.007  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.033  -1.224   3.422  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.830   1.307  -0.798  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.539  -1.808   1.564  1.00  0.00           H  
HETATM   27  H   UNL     1       4.764  -2.555  -0.585  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.427   0.625   3.171  1.00  0.00           H  
HETATM   29  H   UNL     1       2.583  -3.804   1.756  1.00  0.00           H  
HETATM   30  H   UNL     1       3.091  -3.707   0.052  1.00  0.00           H  
HETATM   31  H   UNL     1       4.232  -3.272   1.347  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.981   3.062  -0.567  1.00  0.00           H  
HETATM   33  H   UNL     1       5.895  -1.005  -2.124  1.00  0.00           H  
CONECT    1    3    4   21                                            
CONECT    2    9    3    3   22                                       
CONECT    3    2    2   10    1                                       
CONECT    4    1   12   12    5                                       
CONECT    5    4   18    6   23                                       
CONECT    6    8    5   14   14                                       
CONECT    7   11   11   14   24                                       
CONECT    8   15   15    6   25                                       
CONECT    9   20   20    2                                            
CONECT   10   13   13    3   17                                       
CONECT   11   15    7    7   26                                       
CONECT   12    4    4                                                 
CONECT   13   20   10   10   27                                       
CONECT   14    6    6    7   28                                       
CONECT   15   19    8    8   11                                       
CONECT   16   17   29   30   31                                       
CONECT   17   10   16                                                 
CONECT   18    5   32                                                 
CONECT   19   15                                                      
CONECT   20    9    9   13   33                                       
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    5                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
CONECT   32   18                                                      
CONECT   33   20                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
