COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -7.729  -0.832  -0.083  1.00  0.00           S  
HETATM    2  N   UNL     1      -1.121   0.706  -0.012  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.050   2.722   0.036  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.559   0.939  -0.023  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.004  -0.979  -0.074  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.732  -0.446  -0.057  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.107  -0.144  -0.060  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.676   1.775  -0.009  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.943   1.230  -0.027  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.198   1.516   0.002  1.00  0.00           C  
HETATM   11  F   UNL     1       1.081  -0.670   1.110  1.00  0.00           F  
HETATM   12  F   UNL     1       2.848   1.568  -1.102  1.00  0.00           F  
HETATM   13  F   UNL     1       3.522  -1.200   1.113  1.00  0.00           F  
HETATM   14  F   UNL     1       5.290   1.038  -1.098  1.00  0.00           F  
HETATM   15  F   UNL     1       5.981  -1.668  -1.167  1.00  0.00           F  
HETATM   16  F   UNL     1       1.098  -0.608  -1.174  1.00  0.00           F  
HETATM   17  F   UNL     1       2.831   1.506   1.182  1.00  0.00           F  
HETATM   18  F   UNL     1       3.539  -1.138  -1.170  1.00  0.00           F  
HETATM   19  F   UNL     1       5.273   0.976   1.186  1.00  0.00           F  
HETATM   20  F   UNL     1       5.964  -1.730   1.117  1.00  0.00           F  
HETATM   21  F   UNL     1       7.431  -0.363   0.022  1.00  0.00           F  
HETATM   22  C   UNL     1       0.227   1.278   0.014  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.585   0.174  -0.608  1.00  0.00           O  
HETATM   24  C   UNL     1       1.260   0.150  -0.009  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.607  -2.126  -0.658  1.00  0.00           O  
HETATM   26  C   UNL     1       2.668   0.748   0.017  1.00  0.00           C  
HETATM   27  N   UNL     1      -8.187  -1.061   1.492  1.00  0.00           N  
HETATM   28  C   UNL     1       3.702  -0.380  -0.006  1.00  0.00           C  
HETATM   29  C   UNL     1       5.110   0.218   0.021  1.00  0.00           C  
HETATM   30  C   UNL     1       6.144  -0.910  -0.002  1.00  0.00           C  
HETATM   31  H   UNL     1      -1.239  -0.257  -0.039  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.140  -2.050  -0.100  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.872  -1.099  -0.068  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.549   2.848   0.017  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.808   1.876  -0.017  1.00  0.00           H  
HETATM   36  H   UNL     1       0.367   1.917  -0.858  1.00  0.00           H  
HETATM   37  H   UNL     1       0.354   1.868   0.921  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.584  -0.820   2.212  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.059  -1.436   1.694  1.00  0.00           H  
CONECT    1    7   27   23   23                                       
CONECT    1   25   25                                                 
CONECT    2   22   10   31                                            
CONECT    3   10   10                                                 
CONECT    4   10    8    8    6                                       
CONECT    5    6    6    7   32                                       
CONECT    6    4    5    5   33                                       
CONECT    7    1    5    9    9                                       
CONECT    8    4    4    9   34                                       
CONECT    9    7    7    8   35                                       
CONECT   10    2    3    3    4                                       
CONECT   11   24                                                      
CONECT   12   26                                                      
CONECT   13   28                                                      
CONECT   14   29                                                      
CONECT   15   30                                                      
CONECT   16   24                                                      
CONECT   17   26                                                      
CONECT   18   28                                                      
CONECT   19   29                                                      
CONECT   20   30                                                      
CONECT   21   30                                                      
CONECT   22    2   24   36   37                                       
CONECT   23    1    1                                                 
CONECT   24   11   16   22   26                                       
CONECT   25    1    1                                                 
CONECT   26   12   17   24   28                                       
CONECT   27    1   38   39                                            
CONECT   28   13   18   26   29                                       
CONECT   29   14   19   28   30                                       
CONECT   30   15   20   21   29                                       
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   27                                                      
CONECT   39   27                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
