COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.388   0.542  -0.446  1.00  0.00           C  
HETATM    2  C   UNL     1       2.566  -3.526   0.077  1.00  0.00           C  
HETATM    3  C   UNL     1       2.371  -2.386  -0.682  1.00  0.00           C  
HETATM    4  C   UNL     1       3.395  -1.473  -0.834  1.00  0.00           C  
HETATM    5  C   UNL     1       4.622  -1.699  -0.223  1.00  0.00           C  
HETATM    6  C   UNL     1       7.359   1.289  -1.718  1.00  0.00           C  
HETATM    7  C   UNL     1       6.512   1.545  -0.498  1.00  0.00           C  
HETATM    8  C   UNL     1       5.933   2.961  -0.564  1.00  0.00           C  
HETATM    9  C   UNL     1       5.137   3.239   0.714  1.00  0.00           C  
HETATM   10  C   UNL     1       6.524   1.749   1.990  1.00  0.00           C  
HETATM   11  C   UNL     1       7.374   1.413   0.761  1.00  0.00           C  
HETATM   12  O   UNL     1       5.988   3.071   1.850  1.00  0.00           O  
HETATM   13  O   UNL     1       7.079   0.386  -2.469  1.00  0.00           O  
HETATM   14  N   UNL     1       5.662  -0.775  -0.375  1.00  0.00           N  
HETATM   15  C   UNL     1       3.784  -3.752   0.690  1.00  0.00           C  
HETATM   16  C   UNL     1       4.815  -2.845   0.538  1.00  0.00           C  
HETATM   17  C   UNL     1       1.040  -2.141  -1.344  1.00  0.00           C  
HETATM   18  N   UNL     1       0.171  -1.386  -0.432  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.173  -2.187   0.752  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.011  -1.339   1.712  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.224  -0.877   1.022  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.880  -0.076  -0.162  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.042  -0.924  -1.122  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.093  -0.121   1.934  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.424   0.123   1.272  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.617   1.260   0.509  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.837   1.482  -0.103  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.863   0.567   0.048  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.669  -0.570   0.811  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.450  -0.791   1.423  1.00  0.00           C  
HETATM   31 BR   UNL     1      -8.532   0.872  -0.789  1.00  0.00          Br  
HETATM   32  O   UNL     1       4.236   0.922  -0.463  1.00  0.00           O  
HETATM   33  H   UNL     1       1.763  -4.239   0.194  1.00  0.00           H  
HETATM   34  H   UNL     1       3.243  -0.583  -1.426  1.00  0.00           H  
HETATM   35  H   UNL     1       8.216   1.914  -1.920  1.00  0.00           H  
HETATM   36  H   UNL     1       6.745   3.683  -0.651  1.00  0.00           H  
HETATM   37  H   UNL     1       5.274   3.046  -1.428  1.00  0.00           H  
HETATM   38  H   UNL     1       4.759   4.261   0.692  1.00  0.00           H  
HETATM   39  H   UNL     1       4.301   2.543   0.780  1.00  0.00           H  
HETATM   40  H   UNL     1       5.706   1.033   2.072  1.00  0.00           H  
HETATM   41  H   UNL     1       7.143   1.699   2.885  1.00  0.00           H  
HETATM   42  H   UNL     1       7.745   0.392   0.844  1.00  0.00           H  
HETATM   43  H   UNL     1       8.215   2.104   0.701  1.00  0.00           H  
HETATM   44  H   UNL     1       6.581  -1.083  -0.428  1.00  0.00           H  
HETATM   45  H   UNL     1       3.934  -4.643   1.282  1.00  0.00           H  
HETATM   46  H   UNL     1       5.766  -3.022   1.017  1.00  0.00           H  
HETATM   47  H   UNL     1       1.189  -1.570  -2.260  1.00  0.00           H  
HETATM   48  H   UNL     1       0.572  -3.096  -1.584  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.746  -3.062   0.445  1.00  0.00           H  
HETATM   50  H   UNL     1       0.741  -2.507   1.252  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.292  -1.940   2.577  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.429  -0.478   2.040  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.794   0.244  -0.662  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.308   0.799   0.145  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.761  -0.323  -1.987  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.624  -1.785  -1.450  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.242  -0.693   2.850  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.625   0.834   2.174  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.816   1.974   0.391  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.988   2.370  -0.699  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.470  -1.284   0.929  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.297  -1.681   2.015  1.00  0.00           H  
CONECT    1   14   32   32    7                                       
CONECT    2   15   15    3   33                                       
CONECT    3    2   17    4    4                                       
CONECT    4    3    3    5   34                                       
CONECT    5   16   16    4   14                                       
CONECT    6    7   13   13   35                                       
CONECT    7    1    8   11    6                                       
CONECT    8    7    9   36   37                                       
CONECT    9    8   12   38   39                                       
CONECT   10   11   12   40   41                                       
CONECT   11    7   10   42   43                                       
CONECT   12    9   10                                                 
CONECT   13    6    6                                                 
CONECT   14    5    1   44                                            
CONECT   15    2    2   16   45                                       
CONECT   16   15    5    5   46                                       
CONECT   17    3   18   47   48                                       
CONECT   18   17   19   23                                            
CONECT   19   18   20   49   50                                       
CONECT   20   19   21   51   52                                       
CONECT   21   20   24   22                                            
CONECT   22   21   23   53   54                                       
CONECT   23   18   22   55   56                                       
CONECT   24   25   21   57   58                                       
CONECT   25   26   26   30   24                                       
CONECT   26   27   25   25   59                                       
CONECT   27   28   28   26   60                                       
CONECT   28   31   27   27   29                                       
CONECT   29   28   30   30   61                                       
CONECT   30   29   29   25   62                                       
CONECT   31   28                                                      
CONECT   32    1    1                                                 
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
