COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.163   0.350   0.108  1.00  0.00           C  
HETATM    2  C   UNL     1       5.603   0.653  -0.202  1.00  0.00           C  
HETATM    3  C   UNL     1       7.965   0.968  -0.476  1.00  0.00           C  
HETATM    4  C   UNL     1       5.573   1.695   0.716  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.538  -0.624  -1.339  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.020   0.794  -0.103  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.080   0.896   0.906  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.865   0.248   0.787  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.596  -0.516  -0.333  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.276  -1.233  -0.457  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.316  -2.502   0.354  1.00  0.00           C  
HETATM   12  C   UNL     1       2.059  -0.538  -0.403  1.00  0.00           C  
HETATM   13  C   UNL     1       6.805   0.291  -0.798  1.00  0.00           C  
HETATM   14  C   UNL     1       7.931   2.005   0.438  1.00  0.00           C  
HETATM   15  C   UNL     1       6.737   2.368   1.033  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.749   0.033  -1.226  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.230  -3.453   0.075  1.00  0.00           N  
HETATM   18  N   UNL     1       0.797  -0.369   0.040  1.00  0.00           N  
HETATM   19  N   UNL     1       4.429  -0.033  -0.521  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.267  -4.645   0.837  1.00  0.00           O  
HETATM   21  O   UNL     1       0.475  -2.669   1.258  1.00  0.00           O  
HETATM   22  O   UNL     1       2.305  -1.406  -1.214  1.00  0.00           O  
HETATM   23 BR   UNL     1      -5.676   1.693   0.053  1.00  0.00          Br  
HETATM   24  H   UNL     1       2.936   1.388  -0.135  1.00  0.00           H  
HETATM   25  H   UNL     1       3.247   0.240   1.189  1.00  0.00           H  
HETATM   26  H   UNL     1       8.899   0.687  -0.939  1.00  0.00           H  
HETATM   27  H   UNL     1       4.641   1.980   1.181  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.326  -1.218  -2.216  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.291   1.490   1.783  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.130   0.328   1.575  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.092  -1.476  -1.503  1.00  0.00           H  
HETATM   32  H   UNL     1       6.832  -0.518  -1.512  1.00  0.00           H  
HETATM   33  H   UNL     1       8.840   2.532   0.688  1.00  0.00           H  
HETATM   34  H   UNL     1       6.714   3.178   1.747  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.483  -0.047  -2.014  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.862  -3.319  -0.649  1.00  0.00           H  
HETATM   37  H   UNL     1       0.600   0.326   0.688  1.00  0.00           H  
HETATM   38  H   UNL     1       4.452  -0.763  -1.160  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.955  -5.266   0.563  1.00  0.00           H  
CONECT    1   19   12   24   25                                       
CONECT    2   19    4    4   13                                       
CONECT    3   13   13   14   26                                       
CONECT    4    2    2   15   27                                       
CONECT    5    9    9   16   28                                       
CONECT    6   16   16    7   23                                       
CONECT    7    8    8    6   29                                       
CONECT    8    9    7    7   30                                       
CONECT    9   10    5    5    8                                       
CONECT   10   11   18    9   31                                       
CONECT   11   17   21   21   10                                       
CONECT   12    1   22   22   18                                       
CONECT   13    2    3    3   32                                       
CONECT   14   15   15    3   33                                       
CONECT   15    4   14   14   34                                       
CONECT   16    5    6    6   35                                       
CONECT   17   20   11   36                                            
CONECT   18   12   10   37                                            
CONECT   19    1    2   38                                            
CONECT   20   17   39                                                 
CONECT   21   11   11                                                 
CONECT   22   12   12                                                 
CONECT   23    6                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
