COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.297  -2.464   0.044  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.782  -2.180   1.257  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.562   0.311   1.263  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.477   2.858  -0.860  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.276   1.717  -1.625  1.00  0.00           C  
HETATM    6  C   UNL     1       2.112   2.338   1.406  1.00  0.00           C  
HETATM    7  C   UNL     1       4.384   2.598   2.125  1.00  0.00           C  
HETATM    8  C   UNL     1       4.299   0.004  -0.490  1.00  0.00           C  
HETATM    9  C   UNL     1       3.375  -0.596  -1.291  1.00  0.00           C  
HETATM   10  C   UNL     1       2.030  -0.240  -1.225  1.00  0.00           C  
HETATM   11  C   UNL     1       1.598   0.710  -0.351  1.00  0.00           C  
HETATM   12  C   UNL     1       0.138   1.081  -0.297  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.686  -0.157  -0.054  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.787  -1.202   0.340  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.058  -3.592   0.353  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.562  -4.900   0.046  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.306  -3.442   0.962  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.032  -1.063   0.942  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.256   0.891   0.029  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.794   2.286   0.355  1.00  0.00           C  
HETATM   21  C   UNL     1       2.521   1.352   0.491  1.00  0.00           C  
HETATM   22  C   UNL     1       3.036   2.941   2.202  1.00  0.00           C  
HETATM   23  C   UNL     1       4.815   1.640   1.260  1.00  0.00           C  
HETATM   24  C   UNL     1       3.892   0.998   0.417  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.028  -0.067   0.033  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.167  -5.937  -0.198  1.00  0.00           N  
HETATM   27  O   UNL     1      -7.029   4.080  -0.808  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.529   2.215  -1.882  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.142  -1.234   0.064  1.00  0.00           O  
HETATM   30 BR   UNL     1       6.119  -0.496  -0.598  1.00  0.00          Br  
HETATM   31  H   UNL     1      -1.332  -2.573  -0.427  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.747  -2.066   1.728  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.277   0.243   2.083  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.736   0.960   1.554  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.332   1.985  -1.586  1.00  0.00           H  
HETATM   36  H   UNL     1       0.320   2.612  -1.801  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.112   1.006  -2.435  1.00  0.00           H  
HETATM   38  H   UNL     1       1.071   2.617   1.473  1.00  0.00           H  
HETATM   39  H   UNL     1       5.096   3.089   2.772  1.00  0.00           H  
HETATM   40  H   UNL     1       3.690  -1.359  -1.987  1.00  0.00           H  
HETATM   41  H   UNL     1       1.318  -0.731  -1.872  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.026   1.792   0.513  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.894  -4.313   1.210  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.542   0.960  -0.791  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.082   0.242  -0.262  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.968   2.935   0.646  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.509   2.218   1.175  1.00  0.00           H  
HETATM   48  H   UNL     1       2.719   3.699   2.904  1.00  0.00           H  
HETATM   49  H   UNL     1       5.863   1.384   1.211  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.468   0.785  -0.117  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.456   4.404  -1.612  1.00  0.00           H  
CONECT    1   14   14   15   31                                       
CONECT    2   18   18   17   32                                       
CONECT    3   19   18   33   34                                       
CONECT    4   28   28   20   27                                       
CONECT    5   12   35   36   37                                       
CONECT    6   22   22   21   38                                       
CONECT    7   23   23   22   39                                       
CONECT    8   30   24   24    9                                       
CONECT    9    8   10   10   40                                       
CONECT   10    9    9   11   41                                       
CONECT   11   21   21   10   12                                       
CONECT   12   11    5   13   42                                       
CONECT   13   12   25   29   29                                       
CONECT   14   25    1    1   18                                       
CONECT   15    1   16   17   17                                       
CONECT   16   15   26   26   26                                       
CONECT   17   15   15    2   43                                       
CONECT   18   14    3    2    2                                       
CONECT   19   20    3   44   45                                       
CONECT   20    4   19   46   47                                       
CONECT   21   24    6   11   11                                       
CONECT   22    7    6    6   48                                       
CONECT   23    7    7   24   49                                       
CONECT   24   23    8    8   21                                       
CONECT   25   13   14   50                                            
CONECT   26   16   16   16                                            
CONECT   27    4   51                                                 
CONECT   28    4    4                                                 
CONECT   29   13   13                                                 
CONECT   30    8                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
