COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       4.980  -3.722  -0.701  1.00  0.00           F  
HETATM    2  C   UNL     1      -0.322   2.408  -0.303  1.00  0.00           C  
HETATM    3  C   UNL     1       0.854   1.449  -0.080  1.00  0.00           C  
HETATM    4  C   UNL     1       4.626  -2.456  -0.393  1.00  0.00           C  
HETATM    5  C   UNL     1       3.728  -2.218   0.634  1.00  0.00           C  
HETATM    6  C   UNL     1       3.367  -0.921   0.949  1.00  0.00           C  
HETATM    7  C   UNL     1       5.165  -1.394  -1.099  1.00  0.00           C  
HETATM    8  C   UNL     1       4.802  -0.099  -0.783  1.00  0.00           C  
HETATM    9  C   UNL     1       3.901   0.138   0.238  1.00  0.00           C  
HETATM   10  S   UNL     1       3.438   1.790   0.640  1.00  0.00           S  
HETATM   11  O   UNL     1       2.993   1.765   1.989  1.00  0.00           O  
HETATM   12  O   UNL     1       4.495   2.624   0.185  1.00  0.00           O  
HETATM   13  N   UNL     1       2.115   2.166  -0.282  1.00  0.00           N  
HETATM   14  C   UNL     1       0.759   0.290  -1.077  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.429  -0.605  -0.706  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.650   0.266  -0.522  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.596   1.604  -0.344  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.961   2.070  -0.208  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.781   0.917  -0.319  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.167   1.022  -0.231  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.688   2.289  -0.032  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.884   3.411   0.077  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.515   3.338  -0.008  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.954  -0.153  -0.507  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.396  -1.540  -0.669  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.472  -2.214   0.702  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.926  -3.642   0.536  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.164  -4.075  -0.567  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.066  -4.431   1.612  1.00  0.00           O  
HETATM   30  H   UNL     1      -0.368   3.126   0.515  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.192   2.936  -1.248  1.00  0.00           H  
HETATM   32  H   UNL     1       0.816   1.058   0.937  1.00  0.00           H  
HETATM   33  H   UNL     1       3.310  -3.045   1.189  1.00  0.00           H  
HETATM   34  H   UNL     1       2.666  -0.735   1.750  1.00  0.00           H  
HETATM   35  H   UNL     1       5.869  -1.578  -1.898  1.00  0.00           H  
HETATM   36  H   UNL     1       5.222   0.730  -1.335  1.00  0.00           H  
HETATM   37  H   UNL     1       2.175   2.861  -0.956  1.00  0.00           H  
HETATM   38  H   UNL     1       0.615   0.686  -2.082  1.00  0.00           H  
HETATM   39  H   UNL     1       1.678  -0.294  -1.044  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.610  -1.323  -1.506  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.213  -1.133   0.222  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.806   0.155  -0.314  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.760   2.407   0.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.347   4.374   0.231  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.895   4.218   0.077  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.380  -1.556  -1.137  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.685  -2.076  -1.299  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.487  -2.198   1.170  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.182  -1.678   1.332  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.359  -5.339   1.455  1.00  0.00           H  
CONECT    1    4                                                      
CONECT    2    3   17   30   31                                       
CONECT    3   13   14    2   32                                       
CONECT    4    7    1    5    5                                       
CONECT    5    4    4    6   33                                       
CONECT    6    9    9    5   34                                       
CONECT    7    8    8    4   35                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8   10    6    6                                       
CONECT   10   12   12    9   13                                       
CONECT   10   11   11                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10    3   37                                            
CONECT   14    3   15   38   39                                       
CONECT   15   14   16   40   41                                       
CONECT   16   15   17   17   24                                       
CONECT   17    2   16   16   18                                       
CONECT   18   17   23   23   19                                       
CONECT   19   18   24   20   20                                       
CONECT   20   19   19   21   42                                       
CONECT   21   22   22   20   43                                       
CONECT   22   23   21   21   44                                       
CONECT   23   18   18   22   45                                       
CONECT   24   16   25   19                                            
CONECT   25   24   26   46   47                                       
CONECT   26   25   27   48   49                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   50                                                 
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
