COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.855  -0.738  -0.149  1.00  0.00           N  
HETATM    2  C   UNL     1       4.494  -0.964  -0.818  1.00  0.00           C  
HETATM    3  C   UNL     1       3.277  -0.452  -0.367  1.00  0.00           C  
HETATM    4  C   UNL     1       2.035  -1.225  -0.581  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.359  -1.551  -0.262  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.412  -2.551   0.894  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.569  -0.655  -0.208  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.791   0.988  -0.109  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.598   0.416   0.665  1.00  0.00           C  
HETATM   10 BR   UNL     1      -5.310   2.113  -0.042  1.00  0.00          Br  
HETATM   11  C   UNL     1      -3.759  -0.081  -0.987  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.649  -0.902  -1.036  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.708   1.238   0.715  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.567  -3.497   0.687  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.773  -4.504   1.550  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.307  -3.349  -0.256  1.00  0.00           O  
HETATM   17  O   UNL     1       2.078  -2.300  -1.147  1.00  0.00           O  
HETATM   18  C   UNL     1       5.650  -0.235  -0.608  1.00  0.00           C  
HETATM   19  N   UNL     1       3.222   0.721   0.253  1.00  0.00           N  
HETATM   20  C   UNL     1       4.299   1.442   0.464  1.00  0.00           C  
HETATM   21  C   UNL     1       5.552   0.990   0.050  1.00  0.00           C  
HETATM   22  N   UNL     1       6.689   1.756   0.283  1.00  0.00           N  
HETATM   23  C   UNL     1       7.977   1.347  -0.281  1.00  0.00           C  
HETATM   24  C   UNL     1       6.598   2.974   1.093  1.00  0.00           C  
HETATM   25  H   UNL     1       0.810   0.149   0.241  1.00  0.00           H  
HETATM   26  H   UNL     1       4.534  -1.919  -1.320  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.347  -2.090  -1.209  1.00  0.00           H  
HETATM   28  H   UNL     1       0.519  -3.117   0.929  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.546  -2.014   1.833  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.753   0.611   1.309  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.603  -0.274  -1.633  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.624  -1.737  -1.721  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.730   2.075   1.397  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.526  -5.085   1.376  1.00  0.00           H  
HETATM   35  H   UNL     1       6.607  -0.606  -0.946  1.00  0.00           H  
HETATM   36  H   UNL     1       4.215   2.392   0.971  1.00  0.00           H  
HETATM   37  H   UNL     1       8.100   1.793  -1.268  1.00  0.00           H  
HETATM   38  H   UNL     1       8.783   1.681   0.372  1.00  0.00           H  
HETATM   39  H   UNL     1       8.007   0.260  -0.368  1.00  0.00           H  
HETATM   40  H   UNL     1       5.593   3.062   1.505  1.00  0.00           H  
HETATM   41  H   UNL     1       7.322   2.924   1.907  1.00  0.00           H  
HETATM   42  H   UNL     1       6.812   3.842   0.469  1.00  0.00           H  
CONECT    1    4    5   25                                            
CONECT    2   18    3    3   26                                       
CONECT    3    2    2    4   19                                       
CONECT    4    3   17   17    1                                       
CONECT    5    1    6    7   27                                       
CONECT    6    5   14   28   29                                       
CONECT    7    5   12   12    9                                       
CONECT    8   11   11   10   13                                       
CONECT    9   13   13    7   30                                       
CONECT   10    8                                                      
CONECT   11   12    8    8   31                                       
CONECT   12    7    7   11   32                                       
CONECT   13    8    9    9   33                                       
CONECT   14    6   16   16   15                                       
CONECT   15   14   34                                                 
CONECT   16   14   14                                                 
CONECT   17    4    4                                                 
CONECT   18   21   21    2   35                                       
CONECT   19    3   20   20                                            
CONECT   20   19   19   21   36                                       
CONECT   21   22   18   18   20                                       
CONECT   22   24   23   21                                            
CONECT   23   22   37   38   39                                       
CONECT   24   22   40   41   42                                       
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
