COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       4.845   1.811   2.322  1.00  0.00           F  
HETATM    2  C   UNL     1       5.109   1.360   1.024  1.00  0.00           C  
HETATM    3  F   UNL     1       5.102   2.447   0.143  1.00  0.00           F  
HETATM    4  F   UNL     1       6.364   0.742   0.991  1.00  0.00           F  
HETATM    5  C   UNL     1       4.050   0.371   0.611  1.00  0.00           C  
HETATM    6  N   UNL     1       2.984   0.051   1.303  1.00  0.00           N  
HETATM    7  N   UNL     1       2.256  -0.901   0.574  1.00  0.00           N  
HETATM    8  C   UNL     1       2.918  -1.137  -0.571  1.00  0.00           C  
HETATM    9  C   UNL     1       4.030  -0.358  -0.576  1.00  0.00           C  
HETATM   10  C   UNL     1       5.043  -0.337  -1.693  1.00  0.00           C  
HETATM   11  C   UNL     1       4.833  -1.585  -2.559  1.00  0.00           C  
HETATM   12  C   UNL     1       3.353  -1.707  -2.931  1.00  0.00           C  
HETATM   13  C   UNL     1       2.538  -2.077  -1.687  1.00  0.00           C  
HETATM   14  C   UNL     1       0.997  -1.527   0.987  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.161  -0.699   0.494  1.00  0.00           C  
HETATM   16  O   UNL     1       0.044   0.314  -0.141  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.426  -1.085   0.758  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.492  -0.323   0.304  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.341   1.111  -0.601  1.00  0.00           S  
HETATM   20  C   UNL     1      -4.080   1.331  -0.701  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.721   0.343  -0.066  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.808  -0.624   0.516  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.235   0.248   0.027  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.836   1.613  -0.316  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.238   2.110  -1.635  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.770   2.482  -1.408  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.253  -1.806   1.261  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.422  -1.738   2.465  1.00  0.00           O  
HETATM   29  N   UNL     1      -4.476  -2.966   0.613  1.00  0.00           N  
HETATM   30  H   UNL     1       4.902   0.558  -2.299  1.00  0.00           H  
HETATM   31  H   UNL     1       6.050  -0.343  -1.276  1.00  0.00           H  
HETATM   32  H   UNL     1       5.430  -1.501  -3.468  1.00  0.00           H  
HETATM   33  H   UNL     1       5.142  -2.470  -2.002  1.00  0.00           H  
HETATM   34  H   UNL     1       2.998  -0.754  -3.324  1.00  0.00           H  
HETATM   35  H   UNL     1       3.231  -2.480  -3.689  1.00  0.00           H  
HETATM   36  H   UNL     1       2.763  -3.103  -1.396  1.00  0.00           H  
HETATM   37  H   UNL     1       1.474  -1.980  -1.903  1.00  0.00           H  
HETATM   38  H   UNL     1       0.934  -2.529   0.564  1.00  0.00           H  
HETATM   39  H   UNL     1       0.962  -1.589   2.075  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.590  -1.895   1.265  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.598  -0.499  -0.680  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.523  -0.034   1.039  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.917   1.519  -0.418  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.605   2.322   0.479  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.303   1.321  -2.385  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.788   2.986  -1.978  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.709   3.378  -0.791  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.287   2.663  -2.368  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.342  -3.020  -0.346  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.771  -3.748   1.106  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    5    3    4                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    2    9    6    6                                       
CONECT    6    5    5    7                                            
CONECT    7    6   14    8                                            
CONECT    8    7   13    9    9                                       
CONECT    9    5    8    8   10                                       
CONECT   10    9   11   30   31                                       
CONECT   11   10   12   32   33                                       
CONECT   12   11   13   34   35                                       
CONECT   13    8   12   36   37                                       
CONECT   14    7   15   38   39                                       
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   40                                            
CONECT   18   17   22   22   19                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21   26                                       
CONECT   21   20   20   22   23                                       
CONECT   22   18   18   21   27                                       
CONECT   23   21   24   41   42                                       
CONECT   24   23   25   43   44                                       
CONECT   25   24   26   45   46                                       
CONECT   26   20   25   47   48                                       
CONECT   27   22   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   49   50                                            
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
