COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.692   0.841   0.004  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.709  -0.092   0.047  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.406  -1.447   0.064  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.080  -1.860   0.038  1.00  0.00           C  
HETATM    5  C   UNL     1       0.933  -0.922  -0.005  1.00  0.00           C  
HETATM    6  C   UNL     1       0.628   0.427  -0.028  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.389   0.437   0.080  1.00  0.00           S  
HETATM    8  N   UNL     1      -4.094  -0.080  -1.326  1.00  0.00           N  
HETATM    9  O   UNL     1      -4.016  -0.285   1.132  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.365   1.857   0.019  1.00  0.00           O  
HETATM   11  S   UNL     1       1.923   1.620  -0.084  1.00  0.00           S  
HETATM   12  N   UNL     1       2.768   1.493   1.334  1.00  0.00           N  
HETATM   13  O   UNL     1       2.806   1.206  -1.117  1.00  0.00           O  
HETATM   14  O   UNL     1       1.295   2.895  -0.064  1.00  0.00           O  
HETATM   15  N   UNL     1      -2.432  -2.394   0.109  1.00  0.00           N  
HETATM   16  C   UNL     1       2.372  -1.368  -0.033  1.00  0.00           C  
HETATM   17  F   UNL     1       3.041  -0.855   1.083  1.00  0.00           F  
HETATM   18  F   UNL     1       2.427  -2.766  -0.009  1.00  0.00           F  
HETATM   19  F   UNL     1       2.983  -0.898  -1.201  1.00  0.00           F  
HETATM   20  H   UNL     1      -0.926   1.895  -0.010  1.00  0.00           H  
HETATM   21  H   UNL     1       0.159  -2.913   0.052  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.040  -0.292  -1.345  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.560  -0.170  -2.131  1.00  0.00           H  
HETATM   24  H   UNL     1       2.503   0.840   2.000  1.00  0.00           H  
HETATM   25  H   UNL     1       3.530   2.071   1.498  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.358  -2.104   0.127  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.220  -3.340   0.121  1.00  0.00           H  
CONECT    1    6    2    2   20                                       
CONECT    2    1    1    3    7                                       
CONECT    3    4    4    2   15                                       
CONECT    4    5    3    3   21                                       
CONECT    5   16    6    6    4                                       
CONECT    6   11    5    5    1                                       
CONECT    7    2    8   10   10                                       
CONECT    7    9    9                                                 
CONECT    8    7   22   23                                            
CONECT    9    7    7                                                 
CONECT   10    7    7                                                 
CONECT   11   14   14   13   13                                       
CONECT   11   12    6                                                 
CONECT   12   11   24   25                                            
CONECT   13   11   11                                                 
CONECT   14   11   11                                                 
CONECT   15    3   26   27                                            
CONECT   16   17   19   18    5                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20    1                                                      
CONECT   21    4                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24   12                                                      
CONECT   25   12                                                      
CONECT   26   15                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
