COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -4.618  -0.770  -0.007  1.00  0.00          Br  
HETATM    2  C   UNL     1      -3.167   0.443   0.005  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.405   1.806   0.025  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.348   2.698   0.034  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.049   2.234   0.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.870  -0.034   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.802   0.862   0.003  1.00  0.00           C  
HETATM    8  C   UNL     1       0.592   0.357  -0.003  1.00  0.00           C  
HETATM    9  C   UNL     1       1.648   1.282   0.001  1.00  0.00           C  
HETATM   10  N   UNL     1       0.797  -0.943  -0.005  1.00  0.00           N  
HETATM   11  C   UNL     1       2.021  -1.473  -0.005  1.00  0.00           C  
HETATM   12  C   UNL     1       3.159  -0.628  -0.001  1.00  0.00           C  
HETATM   13  C   UNL     1       2.957   0.822  -0.004  1.00  0.00           C  
HETATM   14  C   UNL     1       4.101   1.758  -0.001  1.00  0.00           C  
HETATM   15  O   UNL     1       3.886   3.083  -0.108  1.00  0.00           O  
HETATM   16  O   UNL     1       5.234   1.332   0.097  1.00  0.00           O  
HETATM   17  C   UNL     1       4.441  -1.187   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.585  -2.543  -0.002  1.00  0.00           C  
HETATM   19  C   UNL     1       3.470  -3.378  -0.006  1.00  0.00           C  
HETATM   20  C   UNL     1       2.209  -2.868  -0.002  1.00  0.00           C  
HETATM   21  H   UNL     1      -4.420   2.174   0.033  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.540   3.761   0.049  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.225   2.932   0.030  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.684  -1.097  -0.015  1.00  0.00           H  
HETATM   25  H   UNL     1       1.442   2.342   0.007  1.00  0.00           H  
HETATM   26  H   UNL     1       4.666   3.656  -0.101  1.00  0.00           H  
HETATM   27  H   UNL     1       5.312  -0.548   0.002  1.00  0.00           H  
HETATM   28  H   UNL     1       5.575  -2.974  -0.001  1.00  0.00           H  
HETATM   29  H   UNL     1       3.610  -4.450  -0.008  1.00  0.00           H  
HETATM   30  H   UNL     1       1.356  -3.530  -0.005  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    6    1    3    3                                       
CONECT    3    2    2    4   21                                       
CONECT    4    5    5    3   22                                       
CONECT    5    7    4    4   23                                       
CONECT    6    7    7    2   24                                       
CONECT    7    8    6    6    5                                       
CONECT    8   10   10    9    7                                       
CONECT    9   13   13    8   25                                       
CONECT   10   11    8    8                                            
CONECT   11   20   20   12   10                                       
CONECT   12   17   17   11   13                                       
CONECT   13   12   14    9    9                                       
CONECT   14   13   16   16   15                                       
CONECT   15   14   26                                                 
CONECT   16   14   14                                                 
CONECT   17   18   12   12   27                                       
CONECT   18   19   19   17   28                                       
CONECT   19   18   18   20   29                                       
CONECT   20   19   11   11   30                                       
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    9                                                      
CONECT   26   15                                                      
CONECT   27   17                                                      
CONECT   28   18                                                      
CONECT   29   19                                                      
CONECT   30   20                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
