COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.469  -2.671   0.967  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.092  -3.884   1.181  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.191  -4.242   0.421  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.057  -2.167  -0.766  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.950  -1.807  -0.008  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.161   2.020  -0.425  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.579   3.266  -0.513  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.668   4.662  -0.294  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.025  -0.412   0.086  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.402   0.921  -0.014  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.471   2.340   0.204  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.051   1.088   0.300  1.00  0.00           C  
HETATM   13  C   UNL     1       4.066  -2.894  -1.046  1.00  0.00           C  
HETATM   14  C   UNL     1       6.241  -2.277  -0.598  1.00  0.00           C  
HETATM   15  C   UNL     1       4.421  -0.782  -0.195  1.00  0.00           C  
HETATM   16  C   UNL     1       5.791  -1.034  -0.164  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.230   1.534   0.227  1.00  0.00           C  
HETATM   18  C   UNL     1       2.019   0.504   0.057  1.00  0.00           C  
HETATM   19  C   UNL     1       1.241   1.758   0.462  1.00  0.00           C  
HETATM   20 BR   UNL     1       7.005   0.276   0.456  1.00  0.00          Br  
HETATM   21  N   UNL     1       7.595  -2.578  -0.586  1.00  0.00           N  
HETATM   22  N   UNL     1       5.354  -3.173  -1.028  1.00  0.00           N  
HETATM   23  N   UNL     1       3.599  -1.730  -0.644  1.00  0.00           N  
HETATM   24  S   UNL     1       3.786   0.772   0.340  1.00  0.00           S  
HETATM   25  O   UNL     1      -0.619   0.476  -0.221  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.115   2.510   0.513  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.237   3.433  -0.201  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.510   5.737  -0.715  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.363  -1.368   0.443  1.00  0.00           O  
HETATM   30  N   UNL     1      -6.328  -0.572  -0.219  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.668  -3.387  -0.555  1.00  0.00           C  
HETATM   32  H   UNL     1      -5.611  -2.392   1.561  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.721  -4.555   1.942  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.677  -5.192   0.590  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.434  -1.497  -1.525  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.206   1.894  -0.668  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.169   4.115  -0.827  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.460   0.240   0.614  1.00  0.00           H  
HETATM   39  H   UNL     1       3.373  -3.641  -1.405  1.00  0.00           H  
HETATM   40  H   UNL     1       1.680  -0.343   0.654  1.00  0.00           H  
HETATM   41  H   UNL     1       1.847   0.295  -0.999  1.00  0.00           H  
HETATM   42  H   UNL     1       1.580   2.604  -0.135  1.00  0.00           H  
HETATM   43  H   UNL     1       1.413   1.966   1.518  1.00  0.00           H  
HETATM   44  H   UNL     1       8.236  -1.920  -0.275  1.00  0.00           H  
HETATM   45  H   UNL     1       7.902  -3.447  -0.890  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.812   3.330   0.934  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.932   6.661  -0.748  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.906   5.522  -1.708  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.335   5.850  -0.012  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.835   0.170  -0.584  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.529  -3.668  -1.144  1.00  0.00           H  
CONECT    1    5    5    2   32                                       
CONECT    2    1    3    3   33                                       
CONECT    3    2    2   31   34                                       
CONECT    4    5   31   31   35                                       
CONECT    5    1    1    4   30                                       
CONECT    6    7    7   10   36                                       
CONECT    7    6    6   27   37                                       
CONECT    8   28   27                                                 
CONECT    9   10   29   29   30                                       
CONECT   10    6    9   12   12                                       
CONECT   11   26   27   27   12                                       
CONECT   12   10   10   11   38                                       
CONECT   13   22   22   23   39                                       
CONECT   14   21   16   16   22                                       
CONECT   15   16   24   23   23                                       
CONECT   16   14   14   15   20                                       
CONECT   17   19   26   25   25                                       
CONECT   18   24   19   40   41                                       
CONECT   19   17   18   42   43                                       
CONECT   20   16                                                      
CONECT   21   14   44   45                                            
CONECT   22   13   13   14                                            
CONECT   23   13   15   15                                            
CONECT   24   15   18                                                 
CONECT   25   17   17                                                 
CONECT   26   11   17   46                                            
CONECT   27    7    8   11   11                                       
CONECT   28    8   47   48   49                                       
CONECT   29    9    9                                                 
CONECT   30    5    9   50                                            
CONECT   31    3    4    4   51                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
