COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       1.269  -5.394   0.069  1.00  0.00          Cl  
HETATM    2  C   UNL     1       1.044  -3.673   0.090  1.00  0.00           C  
HETATM    3  C   UNL     1       1.497  -2.905  -0.969  1.00  0.00           C  
HETATM    4  C   UNL     1       1.321  -1.537  -0.957  1.00  0.00           C  
HETATM    5  C   UNL     1       0.405  -3.073   1.163  1.00  0.00           C  
HETATM    6  C   UNL     1       0.224  -1.706   1.185  1.00  0.00           C  
HETATM    7  C   UNL     1       0.684  -0.927   0.123  1.00  0.00           C  
HETATM    8  C   UNL     1       0.493   0.541   0.141  1.00  0.00           C  
HETATM    9  C   UNL     1       1.578   1.406   0.203  1.00  0.00           C  
HETATM   10  C   UNL     1       2.981   0.858   0.252  1.00  0.00           C  
HETATM   11  O   UNL     1       3.730   1.555   1.249  1.00  0.00           O  
HETATM   12  C   UNL     1       4.754   0.769   1.861  1.00  0.00           C  
HETATM   13  C   UNL     1       3.639   1.043  -1.091  1.00  0.00           C  
HETATM   14  O   UNL     1       3.166   0.393  -2.166  1.00  0.00           O  
HETATM   15  O   UNL     1       4.593   1.776  -1.200  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.805   1.111   0.091  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.951   0.309   0.023  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.182   0.894  -0.024  1.00  0.00           C  
HETATM   19 BR   UNL     1      -4.729  -0.190  -0.116  1.00  0.00          Br  
HETATM   20  C   UNL     1      -3.314   2.281  -0.005  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.220   3.089   0.061  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.935   2.521   0.111  1.00  0.00           C  
HETATM   23  N   UNL     1       0.156   3.291   0.176  1.00  0.00           N  
HETATM   24  C   UNL     1       1.362   2.779   0.218  1.00  0.00           C  
HETATM   25  C   UNL     1       2.549   3.704   0.292  1.00  0.00           C  
HETATM   26  H   UNL     1       1.990  -3.378  -1.805  1.00  0.00           H  
HETATM   27  H   UNL     1       1.676  -0.939  -1.784  1.00  0.00           H  
HETATM   28  H   UNL     1       0.049  -3.678   1.984  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.274  -1.240   2.022  1.00  0.00           H  
HETATM   30  H   UNL     1       2.948  -0.204   0.497  1.00  0.00           H  
HETATM   31  H   UNL     1       5.276   1.370   2.606  1.00  0.00           H  
HETATM   32  H   UNL     1       4.307  -0.100   2.344  1.00  0.00           H  
HETATM   33  H   UNL     1       5.462   0.439   1.101  1.00  0.00           H  
HETATM   34  H   UNL     1       3.621   0.543  -3.006  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.861  -0.767   0.007  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.299   2.723  -0.043  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.339   4.162   0.075  1.00  0.00           H  
HETATM   38  H   UNL     1       2.790   3.904   1.336  1.00  0.00           H  
HETATM   39  H   UNL     1       3.405   3.238  -0.195  1.00  0.00           H  
HETATM   40  H   UNL     1       2.311   4.641  -0.212  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    5    1    3    3                                       
CONECT    3    2    2    4   26                                       
CONECT    4    7    7    3   27                                       
CONECT    5    6    6    2   28                                       
CONECT    6    5    5    7   29                                       
CONECT    7    6    8    4    4                                       
CONECT    8    9    9   16    7                                       
CONECT    9   24   10    8    8                                       
CONECT   10   11    9   13   30                                       
CONECT   11   12   10                                                 
CONECT   12   11   31   32   33                                       
CONECT   13   10   15   15   14                                       
CONECT   14   13   34                                                 
CONECT   15   13   13                                                 
CONECT   16   22    8   17   17                                       
CONECT   17   16   16   18   35                                       
CONECT   18   20   20   17   19                                       
CONECT   19   18                                                      
CONECT   20   21   18   18   36                                       
CONECT   21   22   22   20   37                                       
CONECT   22   23   21   21   16                                       
CONECT   23   24   24   22                                            
CONECT   24   25   23   23    9                                       
CONECT   25   24   38   39   40                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   25                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
