COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.268  -0.026   4.262  1.00  0.00           C  
HETATM    2  C   UNL     1       2.568  -0.049   3.562  1.00  0.00           C  
HETATM    3  O   UNL     1       3.600  -0.138   4.198  1.00  0.00           O  
HETATM    4  C   UNL     1       2.615   0.035   2.090  1.00  0.00           C  
HETATM    5  C   UNL     1       3.799   0.408   1.446  1.00  0.00           C  
HETATM    6  C   UNL     1       3.838   0.486   0.072  1.00  0.00           C  
HETATM    7  C   UNL     1       2.702   0.194  -0.674  1.00  0.00           C  
HETATM    8  O   UNL     1       2.745   0.272  -2.028  1.00  0.00           O  
HETATM    9  C   UNL     1       1.444  -0.080  -2.504  1.00  0.00           C  
HETATM   10  C   UNL     1       1.424  -0.012  -4.032  1.00  0.00           C  
HETATM   11  C   UNL     1       1.293  -1.331  -4.796  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.551  -2.242  -7.400  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.317  -1.450  -6.964  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.519  -0.058  -6.539  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.231   0.413  -6.012  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.788   0.719  -7.755  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.063   2.153  -7.384  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.366   3.117  -7.932  1.00  0.00           C  
HETATM   19  C   UNL     1       1.523  -0.177  -0.038  1.00  0.00           C  
HETATM   20  C   UNL     1       1.477  -0.264   1.334  1.00  0.00           C  
HETATM   21  C   UNL     1       1.139  -0.617   5.521  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.077  -0.592   6.170  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.169   0.016   5.576  1.00  0.00           C  
HETATM   24 BR   UNL     1      -2.834   0.046   6.472  1.00  0.00          Br  
HETATM   25  C   UNL     1      -1.049   0.599   4.325  1.00  0.00           C  
HETATM   26  C   UNL     1       0.112  -0.359  -4.737  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.533  -1.776  -8.443  1.00  0.00           C  
HETATM   28  C   UNL     1       0.162   0.586   3.668  1.00  0.00           C  
HETATM   29  H   UNL     1       4.681   0.636   2.026  1.00  0.00           H  
HETATM   30  H   UNL     1       4.752   0.775  -0.425  1.00  0.00           H  
HETATM   31  H   UNL     1       1.203  -1.093  -2.182  1.00  0.00           H  
HETATM   32  H   UNL     1       0.709   0.614  -2.099  1.00  0.00           H  
HETATM   33  H   UNL     1       2.043   0.767  -4.476  1.00  0.00           H  
HETATM   34  H   UNL     1       1.826  -1.419  -5.743  1.00  0.00           H  
HETATM   35  H   UNL     1       1.221  -2.247  -4.210  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.577  -3.305  -7.163  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.513  -1.730  -7.373  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.531  -1.993  -6.438  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.299   1.476  -5.785  1.00  0.00           H  
HETATM   40  H   UNL     1       0.547   0.249  -6.757  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.921   0.674  -8.414  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.655   0.303  -8.268  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.836   2.386  -6.666  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.564   4.145  -7.666  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.594   2.884  -8.650  1.00  0.00           H  
HETATM   46  H   UNL     1       0.643  -0.403  -0.623  1.00  0.00           H  
HETATM   47  H   UNL     1       0.561  -0.553   1.827  1.00  0.00           H  
HETATM   48  H   UNL     1       1.990  -1.092   5.986  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.178  -1.048   7.144  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.905   1.073   3.867  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.736  -0.637  -4.112  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.825  -0.957  -9.101  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.889  -2.532  -8.891  1.00  0.00           H  
HETATM   54  H   UNL     1       0.255   1.044   2.695  1.00  0.00           H  
CONECT    1    2   21   21   28                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5   20                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6    8   19                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   31   32                                       
CONECT   10    9   11   26   33                                       
CONECT   11   10   26   34   35                                       
CONECT   12   13   27   36   37                                       
CONECT   13   12   14   27   38                                       
CONECT   14   13   15   16                                            
CONECT   15   14   26   39   40                                       
CONECT   16   14   17   41   42                                       
CONECT   17   16   18   18   43                                       
CONECT   18   17   17   44   45                                       
CONECT   19    7   20   20   46                                       
CONECT   20    4   19   19   47                                       
CONECT   21    1    1   22   48                                       
CONECT   22   21   23   23   49                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23                                                      
CONECT   25   23   28   28   50                                       
CONECT   26   10   11   15   51                                       
CONECT   27   12   13   52   53                                       
CONECT   28    1   25   25   54                                       
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
