COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.342   4.186   0.194  1.00  0.00           C  
HETATM    2  O   UNL     1       7.012   4.333  -0.307  1.00  0.00           O  
HETATM    3  C   UNL     1       6.196   3.251  -0.219  1.00  0.00           C  
HETATM    4  C   UNL     1       4.891   3.327  -0.687  1.00  0.00           C  
HETATM    5  C   UNL     1       4.060   2.231  -0.599  1.00  0.00           C  
HETATM    6  C   UNL     1       4.532   1.043  -0.038  1.00  0.00           C  
HETATM    7  C   UNL     1       5.845   0.970   0.431  1.00  0.00           C  
HETATM    8  C   UNL     1       6.671   2.069   0.335  1.00  0.00           C  
HETATM    9  C   UNL     1       3.644  -0.135   0.059  1.00  0.00           C  
HETATM   10  N   UNL     1       3.996  -1.347   0.593  1.00  0.00           N  
HETATM   11  C   UNL     1       2.896  -2.173   0.498  1.00  0.00           C  
HETATM   12  C   UNL     1       1.887  -1.408  -0.109  1.00  0.00           C  
HETATM   13  N   UNL     1       2.399  -0.177  -0.348  1.00  0.00           N  
HETATM   14  C   UNL     1       0.632  -1.998  -0.338  1.00  0.00           C  
HETATM   15  C   UNL     1       0.450  -3.321   0.051  1.00  0.00           C  
HETATM   16  C   UNL     1       1.497  -4.005   0.643  1.00  0.00           C  
HETATM   17  N   UNL     1       2.666  -3.431   0.848  1.00  0.00           N  
HETATM   18 BR   UNL     1      -1.213  -4.177  -0.226  1.00  0.00          Br  
HETATM   19  N   UNL     1      -0.399  -1.280  -0.936  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.266  -0.661   0.076  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.455   0.011  -0.613  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.358   0.655   0.440  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.497   1.299  -0.219  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.430   1.935   0.516  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.283   2.052   1.714  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.657   2.501  -0.151  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.020   2.039   0.369  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.511   1.546  -0.987  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.538   3.948  -0.633  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.373   4.838   0.524  1.00  0.00           N  
HETATM   31  H   UNL     1       8.885   5.121   0.062  1.00  0.00           H  
HETATM   32  H   UNL     1       8.305   3.933   1.253  1.00  0.00           H  
HETATM   33  H   UNL     1       8.850   3.391  -0.352  1.00  0.00           H  
HETATM   34  H   UNL     1       4.526   4.246  -1.121  1.00  0.00           H  
HETATM   35  H   UNL     1       3.045   2.291  -0.963  1.00  0.00           H  
HETATM   36  H   UNL     1       6.215   0.051   0.862  1.00  0.00           H  
HETATM   37  H   UNL     1       7.687   2.013   0.698  1.00  0.00           H  
HETATM   38  H   UNL     1       4.860  -1.581   0.969  1.00  0.00           H  
HETATM   39  H   UNL     1       1.353  -5.032   0.945  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.035  -0.587  -1.573  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.629  -1.427   0.761  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.699   0.085   0.632  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.093   0.777  -1.299  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.022  -0.735  -1.170  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.721  -0.111   1.126  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.791   1.402   0.997  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.579   1.267  -1.185  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.030   1.326   1.193  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.832   2.767   0.367  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.988   1.949  -1.881  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.186   0.508  -1.055  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.673   4.042  -1.290  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.440   4.225  -1.179  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.367   5.806   0.238  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.089   4.670   1.215  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    3    1                                                 
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   34                                       
CONECT    5    6    6    4   35                                       
CONECT    6    7    9    5    5                                       
CONECT    7    8    8    6   36                                       
CONECT    8    7    7    3   37                                       
CONECT    9   10    6   13   13                                       
CONECT   10   11    9   38                                            
CONECT   11   10   17   17   12                                       
CONECT   12   11   13   14   14                                       
CONECT   13    9    9   12                                            
CONECT   14   12   12   15   19                                       
CONECT   15   16   16   14   18                                       
CONECT   16   17   15   15   39                                       
CONECT   17   11   11   16                                            
CONECT   18   15                                                      
CONECT   19   14   20   40                                            
CONECT   20   19   21   41   42                                       
CONECT   21   20   22   43   44                                       
CONECT   22   21   23   45   46                                       
CONECT   23   22   24   47                                            
CONECT   24   25   25   23   26                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   28   29                                       
CONECT   27   26   28   48   49                                       
CONECT   28   27   26   50   51                                       
CONECT   29   26   30   52   53                                       
CONECT   30   29   54   55                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
