COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.737   0.083   0.165  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.657   1.120  -0.762  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.810   1.743  -1.201  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.044   1.339  -0.719  1.00  0.00           C  
HETATM    5  C   UNL     1       8.761   0.745   0.141  1.00  0.00           C  
HETATM    6  C   UNL     1       7.274   0.989   0.154  1.00  0.00           C  
HETATM    7  C   UNL     1       6.783   2.266  -0.049  1.00  0.00           C  
HETATM    8  C   UNL     1       5.421   2.493  -0.039  1.00  0.00           C  
HETATM    9  C   UNL     1       6.404  -0.065   0.362  1.00  0.00           C  
HETATM   10  C   UNL     1       5.041   0.154   0.374  1.00  0.00           C  
HETATM   11  C   UNL     1       4.544   1.437   0.176  1.00  0.00           C  
HETATM   12  C   UNL     1       2.123   0.070   0.500  1.00  0.00           C  
HETATM   13  C   UNL     1       1.954  -2.126  -0.450  1.00  0.00           C  
HETATM   14  C   UNL     1       2.359  -2.953  -1.672  1.00  0.00           C  
HETATM   15  C   UNL     1       0.429  -2.117  -0.322  1.00  0.00           C  
HETATM   16  C   UNL     1       0.029  -1.238   0.868  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.219  -0.303   0.267  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.500  -0.585   0.643  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.128   0.309   0.203  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.980  -0.320   0.647  1.00  0.00           C  
HETATM   21  C   UNL     1       0.604   0.167   0.666  1.00  0.00           C  
HETATM   22  F   UNL     1      -5.734   2.749  -2.099  1.00  0.00           F  
HETATM   23  F   UNL     1      -8.335  -0.082   0.670  1.00  0.00           F  
HETATM   24  N   UNL     1      -1.431  -1.163   0.953  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.418  -1.589   1.534  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.181  -1.903   1.691  1.00  0.00           N  
HETATM   27  O   UNL     1       2.426  -0.786  -0.604  1.00  0.00           O  
HETATM   28  O   UNL     1       3.783  -3.057  -1.726  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.148  -1.591  -1.519  1.00  0.00           O  
HETATM   30  O   UNL     1       0.299   0.976   1.804  1.00  0.00           O  
HETATM   31  S   UNL     1       2.805   1.722   0.190  1.00  0.00           S  
HETATM   32  H   UNL     1      -3.695   1.436  -1.138  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.944   1.828  -1.064  1.00  0.00           H  
HETATM   34  H   UNL     1       9.083   0.516  -0.874  1.00  0.00           H  
HETATM   35  H   UNL     1       9.279   1.637   0.494  1.00  0.00           H  
HETATM   36  H   UNL     1       8.997  -0.094   0.795  1.00  0.00           H  
HETATM   37  H   UNL     1       7.465   3.086  -0.215  1.00  0.00           H  
HETATM   38  H   UNL     1       5.038   3.490  -0.197  1.00  0.00           H  
HETATM   39  H   UNL     1       6.791  -1.062   0.516  1.00  0.00           H  
HETATM   40  H   UNL     1       4.362  -0.670   0.536  1.00  0.00           H  
HETATM   41  H   UNL     1       2.563  -0.340   1.409  1.00  0.00           H  
HETATM   42  H   UNL     1       2.392  -2.565   0.447  1.00  0.00           H  
HETATM   43  H   UNL     1       1.924  -3.949  -1.596  1.00  0.00           H  
HETATM   44  H   UNL     1       1.996  -2.465  -2.577  1.00  0.00           H  
HETATM   45  H   UNL     1       0.071  -3.134  -0.161  1.00  0.00           H  
HETATM   46  H   UNL     1       0.426  -1.666   1.788  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.899   0.450  -0.438  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.046  -1.124   1.365  1.00  0.00           H  
HETATM   49  H   UNL     1       0.168   0.615  -0.227  1.00  0.00           H  
HETATM   50  H   UNL     1       4.111  -3.570  -2.478  1.00  0.00           H  
HETATM   51  H   UNL     1       0.068  -2.096  -2.314  1.00  0.00           H  
HETATM   52  H   UNL     1       0.638   1.880   1.747  1.00  0.00           H  
CONECT    1   18    2    2   20                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2   22    4    4                                       
CONECT    4    3    3   19   33                                       
CONECT    5    6   34   35   36                                       
CONECT    6    5    9    9    7                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7   11   38                                       
CONECT    9    6    6   10   39                                       
CONECT   10    9   11   11   40                                       
CONECT   11   10   10    8   31                                       
CONECT   12   31   21   27   41                                       
CONECT   13   27   15   14   42                                       
CONECT   14   13   28   43   44                                       
CONECT   15   16   13   29   45                                       
CONECT   16   21   24   15   46                                       
CONECT   17   24   18   18   47                                       
CONECT   18   25   17   17    1                                       
CONECT   19   20   20    4   23                                       
CONECT   20    1   19   19   48                                       
CONECT   21   30   12   16   49                                       
CONECT   22    3                                                      
CONECT   23   19                                                      
CONECT   24   26   16   17                                            
CONECT   25   26   26   18                                            
CONECT   26   25   25   24                                            
CONECT   27   12   13                                                 
CONECT   28   14   50                                                 
CONECT   29   15   51                                                 
CONECT   30   21   52                                                 
CONECT   31   11   12                                                 
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
