COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.261   1.069   1.911  1.00  0.00           C  
HETATM    2  C   UNL     1       1.007   0.601   1.243  1.00  0.00           C  
HETATM    3  C   UNL     1       1.775   1.493   0.514  1.00  0.00           C  
HETATM    4  C   UNL     1       2.564  -1.148   0.745  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.076  -0.543  -0.703  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.251  -2.095   0.794  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.202  -0.050   0.727  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.101   0.362  -0.274  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.756   2.027   0.114  1.00  0.00           C  
HETATM   10  C   UNL     1       2.939   1.062  -0.100  1.00  0.00           C  
HETATM   11  C   UNL     1       3.332  -0.258   0.016  1.00  0.00           C  
HETATM   12  C   UNL     1       1.405  -0.717   1.362  1.00  0.00           C  
HETATM   13  F   UNL     1       1.389   2.783   0.401  1.00  0.00           F  
HETATM   14  N   UNL     1      -4.116  -1.743  -0.148  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.308  -1.274   1.227  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.366   1.019   0.951  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.776   1.639  -0.605  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.337  -3.365   1.343  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.173   3.246   0.041  1.00  0.00           O  
HETATM   20 BR   UNL     1       4.922  -0.848  -0.822  1.00  0.00          Br  
HETATM   21 CL   UNL     1      -5.216  -0.098  -1.934  1.00  0.00          Cl  
HETATM   22  H   UNL     1      -0.486   0.420   2.758  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.130   2.092   2.262  1.00  0.00           H  
HETATM   24  H   UNL     1       2.874  -2.179   0.839  1.00  0.00           H  
HETATM   25  H   UNL     1       3.539   1.757  -0.669  1.00  0.00           H  
HETATM   26  H   UNL     1       0.805  -1.413   1.931  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.022  -3.980   1.037  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.712  -3.639   2.033  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.556   3.902   0.640  1.00  0.00           H  
CONECT    1    2   16   22   23                                       
CONECT    2    3    3   12    1                                       
CONECT    3   10   13    2    2                                       
CONECT    4   11   12   12   24                                       
CONECT    5   14   14    8   21                                       
CONECT    6   18   15   15   14                                       
CONECT    7   15   16    8    8                                       
CONECT    8    7    7   17    5                                       
CONECT    9   16   19   17   17                                       
CONECT   10   11   11    3   25                                       
CONECT   11   20   10   10    4                                       
CONECT   12    4    4    2   26                                       
CONECT   13    3                                                      
CONECT   14    6    5    5                                            
CONECT   15    6    6    7                                            
CONECT   16    1    7    9                                            
CONECT   17    9    9    8                                            
CONECT   18    6   27   28                                            
CONECT   19    9   29                                                 
CONECT   20   11                                                      
CONECT   21    5                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   18                                                      
CONECT   28   18                                                      
CONECT   29   19                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
