COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.279   0.298  -1.155  1.00  0.00           C  
HETATM    2  C   UNL     1       4.106  -0.990   0.488  1.00  0.00           C  
HETATM    3  C   UNL     1       4.376  -0.028   1.443  1.00  0.00           C  
HETATM    4  C   UNL     1       3.323  -2.222   0.863  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.952  -0.032   1.132  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154   1.117   1.290  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.205  -0.542  -0.679  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.890  -0.705  -0.276  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.862  -2.350  -2.184  1.00  0.00           C  
HETATM   10  C   UNL     1       7.409   3.892  -1.692  1.00  0.00           C  
HETATM   11  C   UNL     1       5.548   1.269  -0.199  1.00  0.00           C  
HETATM   12  C   UNL     1       5.093   1.102   1.102  1.00  0.00           C  
HETATM   13  C   UNL     1       4.557  -0.828  -0.809  1.00  0.00           C  
HETATM   14  N   UNL     1       6.276   2.415  -0.548  1.00  0.00           N  
HETATM   15  C   UNL     1       1.889  -2.057   0.430  1.00  0.00           C  
HETATM   16  O   UNL     1       3.889  -3.362   0.213  1.00  0.00           O  
HETATM   17  C   UNL     1       3.732  -4.583   0.939  1.00  0.00           C  
HETATM   18  O   UNL     1       1.426  -2.783  -0.425  1.00  0.00           O  
HETATM   19  N   UNL     1       1.121  -1.104   0.993  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.213  -0.950   0.590  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.356   0.129   0.708  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.470   1.265   0.889  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.996   0.437  -0.094  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.250   2.222   1.458  1.00  0.00           O  
HETATM   25 BR   UNL     1      -6.795   0.645  -0.638  1.00  0.00          Br  
HETATM   26  O   UNL     1      -4.727  -1.353  -1.637  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.644   3.038   2.463  1.00  0.00           C  
HETATM   28  C   UNL     1       6.774   2.699  -1.772  1.00  0.00           C  
HETATM   29  C   UNL     1       7.295   4.352  -0.375  1.00  0.00           C  
HETATM   30  N   UNL     1       6.612   3.470   0.310  1.00  0.00           N  
HETATM   31  C   UNL     1       4.372  -5.729   0.154  1.00  0.00           C  
HETATM   32  H   UNL     1       5.631   0.425  -2.168  1.00  0.00           H  
HETATM   33  H   UNL     1       4.026  -0.159   2.456  1.00  0.00           H  
HETATM   34  H   UNL     1       3.362  -2.363   1.943  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.540   0.614   1.893  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.746   1.761   2.055  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.279  -1.475  -0.723  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.999  -1.869  -2.645  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.525  -3.015  -1.389  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.401  -2.926  -2.936  1.00  0.00           H  
HETATM   41  H   UNL     1       7.917   4.397  -2.500  1.00  0.00           H  
HETATM   42  H   UNL     1       5.300   1.856   1.848  1.00  0.00           H  
HETATM   43  H   UNL     1       4.344  -1.581  -1.553  1.00  0.00           H  
HETATM   44  H   UNL     1       4.219  -4.492   1.910  1.00  0.00           H  
HETATM   45  H   UNL     1       2.671  -4.787   1.082  1.00  0.00           H  
HETATM   46  H   UNL     1       1.491  -0.524   1.676  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.794   3.569   2.037  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.374   3.758   2.834  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.305   2.409   3.286  1.00  0.00           H  
HETATM   50  H   UNL     1       6.682   2.085  -2.656  1.00  0.00           H  
HETATM   51  H   UNL     1       7.702   5.276   0.009  1.00  0.00           H  
HETATM   52  H   UNL     1       3.886  -5.820  -0.818  1.00  0.00           H  
HETATM   53  H   UNL     1       5.433  -5.525   0.011  1.00  0.00           H  
HETATM   54  H   UNL     1       4.253  -6.661   0.708  1.00  0.00           H  
CONECT    1   11   13   13   32                                       
CONECT    2   13    3    3    4                                       
CONECT    3   12    2    2   33                                       
CONECT    4    2   15   16   34                                       
CONECT    5   20   20   21   35                                       
CONECT    6   21   21   22   36                                       
CONECT    7   23    8    8   26                                       
CONECT    8   21    7    7   37                                       
CONECT    9   26   38   39   40                                       
CONECT   10   28   28   29   41                                       
CONECT   11   12   12    1   14                                       
CONECT   12   11   11    3   42                                       
CONECT   13    1    1    2   43                                       
CONECT   14   11   28   30                                            
CONECT   15    4   18   18   19                                       
CONECT   16    4   17                                                 
CONECT   17   16   31   44   45                                       
CONECT   18   15   15                                                 
CONECT   19   15   20   46                                            
CONECT   20   19    5    5                                            
CONECT   21    5    6    6    8                                       
CONECT   22    6   23   23   24                                       
CONECT   23   22   22    7   25                                       
CONECT   24   22   27                                                 
CONECT   25   23                                                      
CONECT   26    7    9                                                 
CONECT   27   24   47   48   49                                       
CONECT   28   14   10   10   50                                       
CONECT   29   10   30   30   51                                       
CONECT   30   14   29   29                                            
CONECT   31   17   52   53   54                                       
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
