COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.241  -1.632  -0.006  1.00  0.00           O  
HETATM    2  C   UNL     1       3.462  -0.697  -0.009  1.00  0.00           C  
HETATM    3  N   UNL     1       3.761   0.621   0.026  1.00  0.00           N  
HETATM    4  C   UNL     1       5.109   1.193   0.077  1.00  0.00           C  
HETATM    5  C   UNL     1       2.593   1.329   0.007  1.00  0.00           C  
HETATM    6  C   UNL     1       2.510   2.833   0.036  1.00  0.00           C  
HETATM    7  C   UNL     1       1.989  -0.758  -0.060  1.00  0.00           C  
HETATM    8  N   UNL     1       1.564   0.541  -0.039  1.00  0.00           N  
HETATM    9  C   UNL     1       1.206  -1.888  -0.113  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.255  -1.771  -0.045  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.050  -2.922   0.034  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.422  -2.804   0.098  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.015  -1.553   0.084  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.236  -0.409   0.007  1.00  0.00           C  
HETATM   15 BR   UNL     1      -3.060   1.293  -0.011  1.00  0.00          Br  
HETATM   16  C   UNL     1      -0.862  -0.509  -0.052  1.00  0.00           C  
HETATM   17  H   UNL     1       5.845   0.389   0.082  1.00  0.00           H  
HETATM   18  H   UNL     1       5.268   1.826  -0.797  1.00  0.00           H  
HETATM   19  H   UNL     1       5.217   1.790   0.982  1.00  0.00           H  
HETATM   20  H   UNL     1       2.520   3.217  -0.985  1.00  0.00           H  
HETATM   21  H   UNL     1       1.587   3.137   0.529  1.00  0.00           H  
HETATM   22  H   UNL     1       3.364   3.234   0.583  1.00  0.00           H  
HETATM   23  H   UNL     1       1.667  -2.860  -0.205  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.590  -3.898   0.044  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.036  -3.690   0.158  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.090  -1.468   0.134  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.256   0.383  -0.108  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    4    2    5                                            
CONECT    4    3   17   18   19                                       
CONECT    5    3    8    8    6                                       
CONECT    6    5   20   21   22                                       
CONECT    7    2    9    9    8                                       
CONECT    8    7    5    5                                            
CONECT    9    7    7   10   23                                       
CONECT   10    9   11   11   16                                       
CONECT   11   10   10   12   24                                       
CONECT   12   11   13   13   25                                       
CONECT   13   12   12   14   26                                       
CONECT   14   16   16   13   15                                       
CONECT   15   14                                                      
CONECT   16   10   14   14   27                                       
CONECT   17    4                                                      
CONECT   18    4                                                      
CONECT   19    4                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    9                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   16                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
