COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.652   1.273  -0.461  1.00  0.00           C  
HETATM    2  C   UNL     1       1.335   1.606  -0.620  1.00  0.00           C  
HETATM    3  C   UNL     1       0.348   0.642  -0.411  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.115   0.645  -0.489  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.001   1.809  -0.850  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.466   2.496   0.408  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.510  -0.611  -0.170  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.914  -1.072  -0.119  1.00  0.00           C  
HETATM    9  C   UNL     1       3.011  -0.016  -0.093  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.114   2.083   1.487  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.689  -2.210   1.031  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.543  -1.936  -0.023  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.086  -1.243  -1.130  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.779  -0.805  -1.181  1.00  0.00           C  
HETATM   15  C   UNL     1       0.706  -0.666  -0.039  1.00  0.00           C  
HETATM   16  C   UNL     1       2.048  -0.981   0.123  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.378  -1.782   0.990  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.270   3.568   0.329  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.433  -1.377   0.094  1.00  0.00           O  
HETATM   20 BR   UNL     1       4.839  -0.456   0.113  1.00  0.00          Br  
HETATM   21  H   UNL     1       3.417   2.017  -0.627  1.00  0.00           H  
HETATM   22  H   UNL     1       1.060   2.610  -0.906  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.441   2.515  -1.464  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.865   1.449  -1.408  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.050  -2.759   1.888  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.568  -2.273   0.014  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.757  -1.033  -1.949  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.425  -0.256  -2.042  1.00  0.00           H  
HETATM   29  H   UNL     1       2.339  -1.982   0.409  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.713  -1.996   1.813  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.542   3.974   1.164  1.00  0.00           H  
CONECT    1    2    9    9   21                                       
CONECT    2    3    3    1   22                                       
CONECT    3    4    2    2   15                                       
CONECT    4    5    7    7    3                                       
CONECT    5    6    4   23   24                                       
CONECT    6   10   10    5   18                                       
CONECT    7    8    4    4   19                                       
CONECT    8   14   14   17    7                                       
CONECT    9    1    1   16   20                                       
CONECT   10    6    6                                                 
CONECT   11   12   17   17   25                                       
CONECT   12   13   13   11   26                                       
CONECT   13   12   12   14   27                                       
CONECT   14   13    8    8   28                                       
CONECT   15    3   19   16   16                                       
CONECT   16   15   15    9   29                                       
CONECT   17   11   11    8   30                                       
CONECT   18    6   31                                                 
CONECT   19    7   15                                                 
CONECT   20    9                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
