COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.249   0.227  -2.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.935  -0.560  -2.030  1.00  0.00           C  
HETATM    3  C   UNL     1       0.493  -0.021  -0.752  1.00  0.00           C  
HETATM    4  C   UNL     1       8.871  -0.570   2.870  1.00  0.00           C  
HETATM    5  C   UNL     1       8.679  -0.657   1.354  1.00  0.00           C  
HETATM    6  N   UNL     1       7.363  -0.122   0.997  1.00  0.00           N  
HETATM    7  C   UNL     1       6.973  -0.097  -0.293  1.00  0.00           C  
HETATM    8  O   UNL     1       7.747  -0.432  -1.168  1.00  0.00           O  
HETATM    9  N   UNL     1       5.725   0.299  -0.612  1.00  0.00           N  
HETATM   10  C   UNL     1       4.815   0.812   0.421  1.00  0.00           C  
HETATM   11  C   UNL     1       3.506   0.018   0.364  1.00  0.00           C  
HETATM   12  C   UNL     1       2.941   0.076  -1.056  1.00  0.00           C  
HETATM   13  N   UNL     1       1.672  -0.655  -1.107  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.643  -0.697  -0.804  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.794  -0.115  -0.470  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.783   1.224  -0.061  1.00  0.00           C  
HETATM   17  I   UNL     1      -3.560   2.198   0.471  1.00  0.00           I  
HETATM   18  C   UNL     1      -0.573   1.890  -0.023  1.00  0.00           C  
HETATM   19  N   UNL     1       0.533   1.246  -0.365  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.063  -0.872  -0.528  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.214  -0.481  -1.134  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.167  -1.441  -0.977  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.661  -2.501  -0.256  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.324  -2.200   0.053  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.555  -3.106   0.780  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.105  -4.290   1.187  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.424  -4.595   0.882  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.203  -3.708   0.172  1.00  0.00           C  
HETATM   29  H   UNL     1       5.992  -0.279  -2.616  1.00  0.00           H  
HETATM   30  H   UNL     1       5.082   1.234  -2.382  1.00  0.00           H  
HETATM   31  H   UNL     1       3.521  -0.539  -3.038  1.00  0.00           H  
HETATM   32  H   UNL     1       4.123  -1.593  -1.735  1.00  0.00           H  
HETATM   33  H   UNL     1       8.805   0.472   3.185  1.00  0.00           H  
HETATM   34  H   UNL     1       8.095  -1.150   3.368  1.00  0.00           H  
HETATM   35  H   UNL     1       9.850  -0.969   3.135  1.00  0.00           H  
HETATM   36  H   UNL     1       9.455  -0.077   0.855  1.00  0.00           H  
HETATM   37  H   UNL     1       8.745  -1.699   1.039  1.00  0.00           H  
HETATM   38  H   UNL     1       6.773   0.215   1.689  1.00  0.00           H  
HETATM   39  H   UNL     1       5.273   0.692   1.403  1.00  0.00           H  
HETATM   40  H   UNL     1       4.613   1.867   0.239  1.00  0.00           H  
HETATM   41  H   UNL     1       3.698  -1.020   0.637  1.00  0.00           H  
HETATM   42  H   UNL     1       2.788   0.450   1.061  1.00  0.00           H  
HETATM   43  H   UNL     1       2.772   1.116  -1.338  1.00  0.00           H  
HETATM   44  H   UNL     1       1.658  -1.582  -1.389  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.528   2.924   0.287  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.353   0.452  -1.661  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.071  -1.386  -1.323  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.528  -2.875   1.020  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.508  -4.992   1.750  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.845  -5.534   1.211  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.228  -3.955  -0.061  1.00  0.00           H  
CONECT    1    2    9   29   30                                       
CONECT    2    1   12   31   32                                       
CONECT    3   19   19   14   13                                       
CONECT    4    5   33   34   35                                       
CONECT    5    4    6   36   37                                       
CONECT    6    5    7   38                                            
CONECT    7    6    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    1    7   10                                            
CONECT   10    9   11   39   40                                       
CONECT   11   12   10   41   42                                       
CONECT   12    2   13   11   43                                       
CONECT   13    3   12   44                                            
CONECT   14   15   15    3                                            
CONECT   15   16   20   14   14                                       
CONECT   16   17   18   18   15                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   45                                       
CONECT   19   18    3    3                                            
CONECT   20   21   21   15   24                                       
CONECT   21   22   20   20   46                                       
CONECT   22   21   23   47                                            
CONECT   23   22   24   24   28                                       
CONECT   24   20   23   23   25                                       
CONECT   25   24   26   26   48                                       
CONECT   26   25   25   27   49                                       
CONECT   27   28   28   26   50                                       
CONECT   28   23   27   27   51                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
