COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.712   0.456   0.554  1.00  0.00           C  
HETATM    2  N   UNL     1       2.845   1.704   0.452  1.00  0.00           N  
HETATM    3  C   UNL     1       3.108  -1.467   2.013  1.00  0.00           C  
HETATM    4  C   UNL     1       2.495  -3.377   0.704  1.00  0.00           C  
HETATM    5  C   UNL     1       4.861   1.128   1.513  1.00  0.00           C  
HETATM    6  C   UNL     1       4.841   2.655   1.329  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.814  -0.656  -1.009  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.824   0.466  -0.337  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.307   0.621   0.943  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.048   0.139   1.240  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.302  -0.500   0.266  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.929  -1.026   0.595  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.625  -0.232   0.554  1.00  0.00           C  
HETATM   14  C   UNL     1       1.521   1.679   0.206  1.00  0.00           C  
HETATM   15  C   UNL     1       3.237  -0.715   0.852  1.00  0.00           C  
HETATM   16  C   UNL     1       2.739  -2.796   1.935  1.00  0.00           C  
HETATM   17  C   UNL     1       2.628  -2.633  -0.454  1.00  0.00           C  
HETATM   18  C   UNL     1       2.996  -1.303  -0.384  1.00  0.00           C  
HETATM   19  C   UNL     1       3.733   2.866   0.273  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.073  -0.176  -1.313  1.00  0.00           C  
HETATM   21  N   UNL     1      -9.098   0.952  -0.641  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.932   0.014   0.331  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.708   0.725   0.311  1.00  0.00           N  
HETATM   24  N   UNL     1       3.609   0.630   0.927  1.00  0.00           N  
HETATM   25  O   UNL     1       0.979   2.641  -0.297  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.275  -1.318   0.975  1.00  0.00           O  
HETATM   27 BR   UNL     1       3.178  -0.286  -1.968  1.00  0.00          Br  
HETATM   28  H   UNL     1       1.034  -0.381  -0.065  1.00  0.00           H  
HETATM   29  H   UNL     1       0.861   0.210   1.605  1.00  0.00           H  
HETATM   30  H   UNL     1       3.299  -1.014   2.974  1.00  0.00           H  
HETATM   31  H   UNL     1       2.207  -4.416   0.647  1.00  0.00           H  
HETATM   32  H   UNL     1       5.716   0.699   0.990  1.00  0.00           H  
HETATM   33  H   UNL     1       4.905   0.878   2.573  1.00  0.00           H  
HETATM   34  H   UNL     1       4.582   3.153   2.264  1.00  0.00           H  
HETATM   35  H   UNL     1       5.801   3.011   0.955  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.227  -1.151  -1.768  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.890   1.119   1.704  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.646   0.259   2.235  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.890  -1.308   1.647  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.717  -1.898  -0.023  1.00  0.00           H  
HETATM   41  H   UNL     1       2.643  -3.382   2.837  1.00  0.00           H  
HETATM   42  H   UNL     1       2.436  -3.089  -1.414  1.00  0.00           H  
HETATM   43  H   UNL     1       4.157   2.872  -0.730  1.00  0.00           H  
HETATM   44  H   UNL     1       3.192   3.793   0.467  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.471  -0.298  -2.309  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.622   1.399   0.041  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.458   0.843  -1.536  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.211   0.881  -0.004  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.988   1.591  -0.024  1.00  0.00           H  
CONECT    1   23   14   28   29                                       
CONECT    2   24   14   19                                            
CONECT    3   15   15   16   30                                       
CONECT    4   17   16   16   31                                       
CONECT    5   24    6   32   33                                       
CONECT    6    5   19   34   35                                       
CONECT    7   11   11   20   36                                       
CONECT    8   20   20    9   21                                       
CONECT    9   10   10    8   37                                       
CONECT   10   11    9    9   38                                       
CONECT   11   12    7    7   10                                       
CONECT   12   22   11   39   40                                       
CONECT   13   26   26   22   23                                       
CONECT   14    1    2   25   25                                       
CONECT   15   18   24    3    3                                       
CONECT   16    4    4    3   41                                       
CONECT   17   18   18    4   42                                       
CONECT   18   27   17   17   15                                       
CONECT   19    6    2   43   44                                       
CONECT   20    7    8    8   45                                       
CONECT   21    8   46   47                                            
CONECT   22   12   13   48                                            
CONECT   23   13    1   49                                            
CONECT   24    5   15    2                                            
CONECT   25   14   14                                                 
CONECT   26   13   13                                                 
CONECT   27   18                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
