COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.618  -0.125  -0.077  1.00  0.00           C  
HETATM    2  C   UNL     1       0.264  -0.120  -0.365  1.00  0.00           C  
HETATM    3  C   UNL     1       1.520  -2.458   0.494  1.00  0.00           C  
HETATM    4  C   UNL     1       2.238  -1.291   0.351  1.00  0.00           C  
HETATM    5  C   UNL     1       2.211  -3.714   0.959  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.240   1.717   0.043  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.519   2.236   1.757  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.599   3.208   0.832  1.00  0.00           C  
HETATM    9 BR   UNL     1       2.629   1.461  -0.273  1.00  0.00          Br  
HETATM   10  C   UNL     1      -0.477  -1.302  -0.223  1.00  0.00           C  
HETATM   11  C   UNL     1       0.157  -2.479   0.211  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.803  -3.464   0.257  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.015  -2.952  -0.129  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.884  -1.651  -0.433  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.144  -0.584  -0.970  1.00  0.00          Cl  
HETATM   16  N   UNL     1      -0.359   1.054  -0.795  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.660   1.281   1.262  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.808   2.875  -0.201  1.00  0.00           N  
HETATM   19  H   UNL     1       3.295  -1.284   0.573  1.00  0.00           H  
HETATM   20  H   UNL     1       2.584  -4.265   0.096  1.00  0.00           H  
HETATM   21  H   UNL     1       3.044  -3.451   1.610  1.00  0.00           H  
HETATM   22  H   UNL     1       1.503  -4.336   1.508  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.036   2.206   2.704  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.197   4.104   0.907  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.646  -4.384   0.524  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.937  -3.513  -0.183  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.175   1.404  -1.681  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.403   0.455   1.699  1.00  0.00           H  
CONECT    1    4    9    2    2                                       
CONECT    2    1    1   10   16                                       
CONECT    3    5    4    4   11                                       
CONECT    4    3    3    1   19                                       
CONECT    5    3   20   21   22                                       
CONECT    6   16   17   18   18                                       
CONECT    7   17    8    8   23                                       
CONECT    8    7    7   18   24                                       
CONECT    9    1                                                      
CONECT   10   11   11    2   14                                       
CONECT   11    3   12   10   10                                       
CONECT   12   11   13   25                                            
CONECT   13   12   14   14   26                                       
CONECT   14   10   13   13   15                                       
CONECT   15   14                                                      
CONECT   16    2    6   27                                            
CONECT   17    6    7   28                                            
CONECT   18    6    6    8                                            
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
