COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.505   2.357   0.199  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.684   2.590   0.882  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.878   2.098   0.386  1.00  0.00           C  
HETATM    4 BR   UNL     1      -4.492   2.417   1.318  1.00  0.00          Br  
HETATM    5  C   UNL     1      -2.891   1.373  -0.793  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.711   1.141  -1.474  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.519   1.638  -0.981  1.00  0.00           C  
HETATM    8  C   UNL     1       0.767   1.385  -1.724  1.00  0.00           C  
HETATM    9  N   UNL     1       1.591   2.591  -1.694  1.00  0.00           N  
HETATM   10  C   UNL     1       1.264   3.690  -2.605  1.00  0.00           C  
HETATM   11  C   UNL     1       2.633   2.731  -0.865  1.00  0.00           C  
HETATM   12  O   UNL     1       3.250   3.775  -0.872  1.00  0.00           O  
HETATM   13  C   UNL     1       3.065   1.639   0.075  1.00  0.00           C  
HETATM   14  C   UNL     1       4.325   0.966  -0.473  1.00  0.00           C  
HETATM   15  C   UNL     1       4.829  -0.044   0.526  1.00  0.00           C  
HETATM   16  C   UNL     1       4.386  -1.352   0.470  1.00  0.00           C  
HETATM   17  C   UNL     1       4.848  -2.278   1.386  1.00  0.00           C  
HETATM   18  C   UNL     1       5.754  -1.896   2.358  1.00  0.00           C  
HETATM   19  C   UNL     1       6.197  -0.588   2.414  1.00  0.00           C  
HETATM   20  C   UNL     1       5.739   0.337   1.494  1.00  0.00           C  
HETATM   21  O   UNL     1       2.023   0.668   0.200  1.00  0.00           O  
HETATM   22  C   UNL     1       1.517   0.227  -1.063  1.00  0.00           C  
HETATM   23  C   UNL     1       0.574  -0.930  -0.854  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.311  -0.916   0.208  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.177  -1.976   0.400  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.158  -3.051  -0.470  1.00  0.00           C  
HETATM   27 BR   UNL     1      -2.343  -4.502  -0.208  1.00  0.00          Br  
HETATM   28  C   UNL     1      -0.272  -3.065  -1.532  1.00  0.00           C  
HETATM   29  C   UNL     1       0.590  -2.001  -1.727  1.00  0.00           C  
HETATM   30  H   UNL     1       0.428   2.742   0.586  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.673   3.155   1.802  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.823   0.989  -1.180  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.722   0.579  -2.396  1.00  0.00           H  
HETATM   34  H   UNL     1       0.542   1.126  -2.759  1.00  0.00           H  
HETATM   35  H   UNL     1       0.562   4.368  -2.120  1.00  0.00           H  
HETATM   36  H   UNL     1       2.174   4.232  -2.862  1.00  0.00           H  
HETATM   37  H   UNL     1       0.812   3.288  -3.512  1.00  0.00           H  
HETATM   38  H   UNL     1       3.280   2.068   1.054  1.00  0.00           H  
HETATM   39  H   UNL     1       4.090   0.463  -1.411  1.00  0.00           H  
HETATM   40  H   UNL     1       5.093   1.720  -0.647  1.00  0.00           H  
HETATM   41  H   UNL     1       3.678  -1.650  -0.289  1.00  0.00           H  
HETATM   42  H   UNL     1       4.502  -3.300   1.342  1.00  0.00           H  
HETATM   43  H   UNL     1       6.111  -2.619   3.077  1.00  0.00           H  
HETATM   44  H   UNL     1       6.905  -0.290   3.173  1.00  0.00           H  
HETATM   45  H   UNL     1       6.086   1.359   1.538  1.00  0.00           H  
HETATM   46  H   UNL     1       2.345  -0.087  -1.699  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.326  -0.077   0.888  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.868  -1.965   1.230  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.257  -3.904  -2.212  1.00  0.00           H  
HETATM   50  H   UNL     1       1.279  -2.010  -2.559  1.00  0.00           H  
CONECT    1    7    2    2   30                                       
CONECT    2    1    1    3   31                                       
CONECT    3    5    5    2    4                                       
CONECT    4    3                                                      
CONECT    5    6    3    3   32                                       
CONECT    6    7    7    5   33                                       
CONECT    7    8    6    6    1                                       
CONECT    8   22    9    7   34                                       
CONECT    9   11    8   10                                            
CONECT   10    9   35   36   37                                       
CONECT   11   13   12   12    9                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   21   38                                       
CONECT   14   15   13   39   40                                       
CONECT   15   20   20   16   14                                       
CONECT   16   17   17   15   41                                       
CONECT   17   18   16   16   42                                       
CONECT   18   19   19   17   43                                       
CONECT   19   18   18   20   44                                       
CONECT   20   19   15   15   45                                       
CONECT   21   13   22                                                 
CONECT   22   21   23    8   46                                       
CONECT   23   22   29   29   24                                       
CONECT   24   23   25   25   47                                       
CONECT   25   24   24   26   48                                       
CONECT   26   28   28   25   27                                       
CONECT   27   26                                                      
CONECT   28   29   26   26   49                                       
CONECT   29   23   23   28   50                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
