COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.068   0.613  -1.786  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.405   0.688  -1.446  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.829   0.252  -0.204  1.00  0.00           C  
HETATM    4  I   UNL     1      -7.857   0.368   0.308  1.00  0.00           I  
HETATM    5  C   UNL     1      -4.917  -0.261   0.700  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.579  -0.338   0.364  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.151   0.098  -0.881  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.836   0.022  -1.214  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.948  -0.518  -0.232  1.00  0.00           C  
HETATM   10  C   UNL     1       0.479  -0.523  -0.783  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429  -1.102   0.268  1.00  0.00           C  
HETATM   12  C   UNL     1       1.084  -2.572   0.513  1.00  0.00           C  
HETATM   13  C   UNL     1       2.871  -0.993  -0.233  1.00  0.00           C  
HETATM   14  C   UNL     1       3.829  -1.455   0.867  1.00  0.00           C  
HETATM   15  N   UNL     1       5.209  -1.351   0.387  1.00  0.00           N  
HETATM   16  C   UNL     1       5.996  -0.275   0.515  1.00  0.00           C  
HETATM   17  O   UNL     1       5.633   0.751   1.058  1.00  0.00           O  
HETATM   18  C   UNL     1       5.953  -2.414  -0.305  1.00  0.00           C  
HETATM   19  C   UNL     1       7.332  -1.781  -0.579  1.00  0.00           C  
HETATM   20  N   UNL     1       7.219  -0.431  -0.008  1.00  0.00           N  
HETATM   21  C   UNL     1       8.228   0.534  -0.007  1.00  0.00           C  
HETATM   22  C   UNL     1       8.019   1.787   0.566  1.00  0.00           C  
HETATM   23  C   UNL     1       9.041   2.712   0.546  1.00  0.00           C  
HETATM   24  N   UNL     1      10.204   2.424  -0.008  1.00  0.00           N  
HETATM   25  C   UNL     1      10.440   1.249  -0.561  1.00  0.00           C  
HETATM   26  C   UNL     1       9.472   0.267  -0.576  1.00  0.00           C  
HETATM   27  H   UNL     1      -3.738   0.949  -2.758  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.119   1.089  -2.151  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.250  -0.600   1.669  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.867  -0.739   1.071  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.988   0.094   0.669  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.249  -1.538   0.007  1.00  0.00           H  
HETATM   33  H   UNL     1       0.518  -1.135  -1.684  1.00  0.00           H  
HETATM   34  H   UNL     1       0.780   0.496  -1.023  1.00  0.00           H  
HETATM   35  H   UNL     1       1.324  -0.544   1.198  1.00  0.00           H  
HETATM   36  H   UNL     1       1.761  -2.984   1.261  1.00  0.00           H  
HETATM   37  H   UNL     1       0.057  -2.650   0.869  1.00  0.00           H  
HETATM   38  H   UNL     1       1.189  -3.130  -0.418  1.00  0.00           H  
HETATM   39  H   UNL     1       2.998  -1.622  -1.114  1.00  0.00           H  
HETATM   40  H   UNL     1       3.088   0.043  -0.492  1.00  0.00           H  
HETATM   41  H   UNL     1       3.701  -0.826   1.748  1.00  0.00           H  
HETATM   42  H   UNL     1       3.611  -2.492   1.125  1.00  0.00           H  
HETATM   43  H   UNL     1       6.055  -3.290   0.335  1.00  0.00           H  
HETATM   44  H   UNL     1       5.461  -2.678  -1.241  1.00  0.00           H  
HETATM   45  H   UNL     1       8.117  -2.343  -0.074  1.00  0.00           H  
HETATM   46  H   UNL     1       7.524  -1.731  -1.651  1.00  0.00           H  
HETATM   47  H   UNL     1       7.069   2.030   1.020  1.00  0.00           H  
HETATM   48  H   UNL     1       9.674  -0.694  -1.026  1.00  0.00           H  
HETATM   49  H   UNL     1       8.888   3.686   0.988  1.00  0.00           H  
HETATM   50  H   UNL     1      11.406   1.053  -1.003  1.00  0.00           H  
CONECT    1    2    7    7   27                                       
CONECT    2    1    3    3   28                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3                                                      
CONECT    5    3    6    6   29                                       
CONECT    6    5    5    7   30                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   31   32                                       
CONECT   10    9   11   33   34                                       
CONECT   11   10   12   13   35                                       
CONECT   12   11   36   37   38                                       
CONECT   13   11   14   39   40                                       
CONECT   14   13   15   41   42                                       
CONECT   15   14   16   18                                            
CONECT   16   15   17   17   20                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   43   44                                       
CONECT   19   18   20   45   46                                       
CONECT   20   16   19   21                                            
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   47                                       
CONECT   23   22   24   24   49                                       
CONECT   24   23   23   25                                            
CONECT   25   24   26   26   50                                       
CONECT   26   21   25   25   48                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   22                                                      
CONECT   48   26                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
