COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.259  -1.271  -0.230  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.999   3.156   0.430  1.00  0.00           C  
HETATM    3  C   UNL     1       4.206  -0.042   0.431  1.00  0.00           C  
HETATM    4  C   UNL     1       2.936   0.451   0.188  1.00  0.00           C  
HETATM    5  C   UNL     1       2.376   1.725   0.667  1.00  0.00           C  
HETATM    6  C   UNL     1       0.522   3.416   0.567  1.00  0.00           C  
HETATM    7  C   UNL     1       6.386  -1.787  -1.395  1.00  0.00           C  
HETATM    8  C   UNL     1       6.180  -2.151   1.068  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.040   2.182  -0.777  1.00  0.00           C  
HETATM   10  C   UNL     1       0.237   1.338  -0.585  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.356   0.180  -0.029  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.608  -0.292  -0.233  1.00  0.00           C  
HETATM   13  C   UNL     1       5.439  -2.207  -0.270  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.272   0.602  -1.081  1.00  0.00           C  
HETATM   15  N   UNL     1       1.156   2.122   0.254  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.234   1.335  -0.718  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.448   1.575  -1.375  1.00  0.00           N  
HETATM   18  N   UNL     1       2.306  -0.482  -0.587  1.00  0.00           N  
HETATM   19  N   UNL     1       3.100  -1.468  -0.805  1.00  0.00           N  
HETATM   20  O   UNL     1       3.014   2.419   1.435  1.00  0.00           O  
HETATM   21 BR   UNL     1      -4.332  -1.878   0.497  1.00  0.00          Br  
HETATM   22  H   UNL     1      -1.397   2.683   1.328  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.535   4.078   0.206  1.00  0.00           H  
HETATM   24  H   UNL     1       4.990   0.425   1.009  1.00  0.00           H  
HETATM   25  H   UNL     1       0.843   4.178  -0.143  1.00  0.00           H  
HETATM   26  H   UNL     1       0.764   3.722   1.585  1.00  0.00           H  
HETATM   27  H   UNL     1       6.735  -0.770  -1.216  1.00  0.00           H  
HETATM   28  H   UNL     1       7.240  -2.464  -1.424  1.00  0.00           H  
HETATM   29  H   UNL     1       5.858  -1.827  -2.348  1.00  0.00           H  
HETATM   30  H   UNL     1       6.529  -1.134   1.247  1.00  0.00           H  
HETATM   31  H   UNL     1       5.505  -2.450   1.870  1.00  0.00           H  
HETATM   32  H   UNL     1       7.034  -2.828   1.039  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.005   2.731  -1.717  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.009   0.400  -0.087  1.00  0.00           H  
HETATM   35  H   UNL     1       0.697   1.135  -1.552  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.593  -0.282   0.580  1.00  0.00           H  
HETATM   37  H   UNL     1       5.090  -3.224  -0.449  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.289   0.506  -1.431  1.00  0.00           H  
HETATM   39  H   UNL     1       1.397  -0.412  -0.918  1.00  0.00           H  
CONECT    1   19   19   13    3                                       
CONECT    2    6    9   22   23                                       
CONECT    3    1    4    4   24                                       
CONECT    4   18    3    3    5                                       
CONECT    5    4   20   20   15                                       
CONECT    6   15    2   25   26                                       
CONECT    7   13   27   28   29                                       
CONECT    8   13   30   31   32                                       
CONECT    9   10    2   16   33                                       
CONECT   10   15    9   34   35                                       
CONECT   11   16   12   12   36                                       
CONECT   12   11   11   14   21                                       
CONECT   13    7    1    8   37                                       
CONECT   14   17   17   12   38                                       
CONECT   15    5   10    6                                            
CONECT   16    9   11   17                                            
CONECT   17   16   14   14                                            
CONECT   18   19    4   39                                            
CONECT   19    1    1   18                                            
CONECT   20    5    5                                                 
CONECT   21   12                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   18                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
