COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1       0.419   2.909   0.352  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.401   1.848   0.488  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.472   0.771   0.056  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.786  -1.413   0.744  1.00  0.00           C  
HETATM    5  C   UNL     1       3.503   1.828  -1.110  1.00  0.00           C  
HETATM    6  C   UNL     1       3.898  -0.425  -0.980  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.295  -2.539   1.405  1.00  0.00           N  
HETATM    8  C   UNL     1       4.099   0.706  -1.658  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.726   0.801  -0.541  1.00  0.00           C  
HETATM   10  C   UNL     1       7.608  -3.557  -0.535  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.124  -2.472   2.069  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.045  -1.455   0.159  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.527  -0.330  -0.490  1.00  0.00           C  
HETATM   14  C   UNL     1       2.822   1.610   0.015  1.00  0.00           C  
HETATM   15  C   UNL     1       4.439  -1.778  -1.367  1.00  0.00           C  
HETATM   16  C   UNL     1       4.914   0.757  -2.925  1.00  0.00           C  
HETATM   17  C   UNL     1       5.811  -1.982  -0.722  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.660   1.902   0.010  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.699  -3.527   2.792  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.043  -0.319   0.673  1.00  0.00           N  
HETATM   21  O   UNL     1       2.573   4.084   0.613  1.00  0.00           O  
HETATM   22  O   UNL     1       1.868   2.350   2.269  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.005   0.841   1.043  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.451  -1.461   2.017  1.00  0.00           O  
HETATM   25  O   UNL     1       6.324  -3.264  -1.088  1.00  0.00           O  
HETATM   26  S   UNL     1       1.965   2.842   0.940  1.00  0.00           S  
HETATM   27  S   UNL     1       2.909  -0.096   0.436  1.00  0.00           S  
HETATM   28 BR   UNL     1      -6.242  -0.335  -1.288  1.00  0.00          Br  
HETATM   29  H   UNL     1       0.104   3.710  -0.095  1.00  0.00           H  
HETATM   30  H   UNL     1       3.587   2.808  -1.558  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.795  -3.369   1.385  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.072   1.694  -1.039  1.00  0.00           H  
HETATM   33  H   UNL     1       8.328  -2.813  -0.876  1.00  0.00           H  
HETATM   34  H   UNL     1       7.549  -3.533   0.553  1.00  0.00           H  
HETATM   35  H   UNL     1       7.927  -4.547  -0.860  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.646  -2.351   0.220  1.00  0.00           H  
HETATM   37  H   UNL     1       3.756  -2.554  -1.022  1.00  0.00           H  
HETATM   38  H   UNL     1       4.535  -1.834  -2.451  1.00  0.00           H  
HETATM   39  H   UNL     1       4.262   0.590  -3.783  1.00  0.00           H  
HETATM   40  H   UNL     1       5.386   1.735  -3.014  1.00  0.00           H  
HETATM   41  H   UNL     1       5.682  -0.016  -2.895  1.00  0.00           H  
HETATM   42  H   UNL     1       6.494  -1.206  -1.067  1.00  0.00           H  
HETATM   43  H   UNL     1       5.715  -1.926   0.362  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.000   2.729  -0.366  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.235  -4.334   2.834  1.00  0.00           H  
HETATM   46  H   UNL     1       0.144  -3.480   3.271  1.00  0.00           H  
CONECT    1    2   26   29                                            
CONECT    2   18    1   23   23                                       
CONECT    3   20   18    9    9                                       
CONECT    4    7   20   20   12                                       
CONECT    5   14   14    8   30                                       
CONECT    6   27   15    8    8                                       
CONECT    7   11    4   31                                            
CONECT    8    6    6    5   16                                       
CONECT    9    3    3   13   32                                       
CONECT   10   25   33   34   35                                       
CONECT   11   24   24   19    7                                       
CONECT   12    4   13   13   36                                       
CONECT   13   12   12    9   28                                       
CONECT   14   27   26    5    5                                       
CONECT   15   17    6   37   38                                       
CONECT   16    8   39   40   41                                       
CONECT   17   15   25   42   43                                       
CONECT   18    3    2   44                                            
CONECT   19   11   45   46                                            
CONECT   20    4    4    3                                            
CONECT   21   26   26                                                 
CONECT   22   26   26                                                 
CONECT   23    2    2                                                 
CONECT   24   11   11                                                 
CONECT   25   17   10                                                 
CONECT   26    1   21   21   14                                       
CONECT   26   22   22                                                 
CONECT   27    6   14                                                 
CONECT   28   13                                                      
CONECT   29    1                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
