COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.516   1.538   0.473  1.00  0.00           N  
HETATM    2  C   UNL     1       5.846  -1.863  -0.263  1.00  0.00           C  
HETATM    3  C   UNL     1       5.196  -2.730   0.601  1.00  0.00           C  
HETATM    4  C   UNL     1       4.130  -2.285   1.381  1.00  0.00           C  
HETATM    5  C   UNL     1       3.930   1.298   0.335  1.00  0.00           C  
HETATM    6  C   UNL     1       4.597   2.112  -0.525  1.00  0.00           C  
HETATM    7  C   UNL     1       6.993  -2.356  -1.106  1.00  0.00           C  
HETATM    8  C   UNL     1       0.368   1.814   1.347  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.229   0.858   0.784  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.529   0.238  -1.133  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.220   0.357   1.617  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.053   0.422   3.113  1.00  0.00           C  
HETATM   13  C   UNL     1       3.712  -0.988   1.305  1.00  0.00           C  
HETATM   14  C   UNL     1       2.783   1.820   1.161  1.00  0.00           C  
HETATM   15  C   UNL     1       1.417   2.297  -0.781  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.890   1.288   0.707  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.387   0.797  -0.594  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.516  -0.261  -0.300  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.361  -0.201   1.073  1.00  0.00           C  
HETATM   20  C   UNL     1       4.357  -0.099   0.438  1.00  0.00           C  
HETATM   21  C   UNL     1       5.434  -0.542  -0.353  1.00  0.00           C  
HETATM   22  C   UNL     1       5.667   1.600  -1.287  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.075   1.429   1.333  1.00  0.00           N  
HETATM   24  O   UNL     1       6.054   0.319  -1.188  1.00  0.00           O  
HETATM   25  O   UNL     1       5.600  -4.023   0.688  1.00  0.00           O  
HETATM   26  O   UNL     1       6.256   2.340  -2.054  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.836   0.736  -0.372  1.00  0.00           O  
HETATM   28 BR   UNL     1      -7.078  -1.025  -1.041  1.00  0.00          Br  
HETATM   29  H   UNL     1       3.632  -2.971   2.050  1.00  0.00           H  
HETATM   30  H   UNL     1       4.308   3.147  -0.624  1.00  0.00           H  
HETATM   31  H   UNL     1       7.929  -2.219  -0.563  1.00  0.00           H  
HETATM   32  H   UNL     1       6.854  -3.414  -1.327  1.00  0.00           H  
HETATM   33  H   UNL     1       7.028  -1.792  -2.038  1.00  0.00           H  
HETATM   34  H   UNL     1       0.519   1.325   2.309  1.00  0.00           H  
HETATM   35  H   UNL     1       0.277   2.890   1.497  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.653   0.190  -2.205  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.468   1.359   3.485  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.575  -0.415   3.575  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.993   0.371   3.363  1.00  0.00           H  
HETATM   40  H   UNL     1       2.885  -0.649   1.911  1.00  0.00           H  
HETATM   41  H   UNL     1       2.891   2.896   1.296  1.00  0.00           H  
HETATM   42  H   UNL     1       2.784   1.330   2.135  1.00  0.00           H  
HETATM   43  H   UNL     1       1.397   3.364  -0.559  1.00  0.00           H  
HETATM   44  H   UNL     1       2.279   2.074  -1.410  1.00  0.00           H  
HETATM   45  H   UNL     1       0.503   2.017  -1.305  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.618   1.186  -1.244  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.132  -0.591   1.721  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.128   1.927   2.164  1.00  0.00           H  
HETATM   49  H   UNL     1       5.154  -4.616   0.068  1.00  0.00           H  
CONECT    1   14   15    8                                            
CONECT    2    3    7   21   21                                       
CONECT    3   25    4    4    2                                       
CONECT    4    3    3   13   29                                       
CONECT    5   20   14    6    6                                       
CONECT    6    5    5   22   30                                       
CONECT    7    2   31   32   33                                       
CONECT    8    1   16   34   35                                       
CONECT    9   23   11   11   17                                       
CONECT   10   17   17   18   36                                       
CONECT   11   12    9    9   19                                       
CONECT   12   11   37   38   39                                       
CONECT   13    4   20   20   40                                       
CONECT   14    5    1   41   42                                       
CONECT   15    1   43   44   45                                       
CONECT   16    8   23   27   27                                       
CONECT   17    9   10   10   46                                       
CONECT   18   19   19   10   28                                       
CONECT   19   11   18   18   47                                       
CONECT   20   13   13   21    5                                       
CONECT   21    2    2   20   24                                       
CONECT   22   24    6   26   26                                       
CONECT   23   16    9   48                                            
CONECT   24   21   22                                                 
CONECT   25    3   49                                                 
CONECT   26   22   22                                                 
CONECT   27   16   16                                                 
CONECT   28   18                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
