COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.277  -2.326  -1.868  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.102  -2.105  -0.684  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.344  -3.070   0.224  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.622  -0.790  -0.247  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.506   0.311   0.088  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.023   0.235   0.026  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.608   1.394   0.836  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.948   2.702   0.391  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.492   2.714   0.866  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.836   1.408   0.460  1.00  0.00           C  
HETATM   11  S   UNL     1      -2.104   1.127   0.411  1.00  0.00           S  
HETATM   12  C   UNL     1      -2.297  -0.482  -0.109  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.254  -1.360  -0.361  1.00  0.00           N  
HETATM   14  C   UNL     1       0.022  -0.957  -0.194  1.00  0.00           C  
HETATM   15  O   UNL     1       0.256   0.174   0.177  1.00  0.00           O  
HETATM   16  C   UNL     1       1.156  -1.911  -0.468  1.00  0.00           C  
HETATM   17  N   UNL     1       2.432  -1.238  -0.214  1.00  0.00           N  
HETATM   18  C   UNL     1       3.408  -1.672   0.612  1.00  0.00           C  
HETATM   19  C   UNL     1       4.416  -0.771   0.567  1.00  0.00           C  
HETATM   20  C   UNL     1       5.712  -0.852   1.332  1.00  0.00           C  
HETATM   21  O   UNL     1       5.722  -2.039   2.128  1.00  0.00           O  
HETATM   22  C   UNL     1       4.044   0.248  -0.316  1.00  0.00           C  
HETATM   23  N   UNL     1       2.858  -0.034  -0.789  1.00  0.00           N  
HETATM   24  C   UNL     1       4.871   1.458  -0.668  1.00  0.00           C  
HETATM   25  F   UNL     1       5.681   1.801   0.421  1.00  0.00           F  
HETATM   26  F   UNL     1       5.676   1.168  -1.774  1.00  0.00           F  
HETATM   27  F   UNL     1       4.024   2.528  -0.975  1.00  0.00           F  
HETATM   28  H   UNL     1      -4.658  -3.941  -0.065  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.205  -2.894   1.168  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.351   0.311  -1.011  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.359  -0.712   0.448  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.683   1.452   0.664  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.416   1.231   1.896  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.976   2.774  -0.697  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.482   3.547   0.826  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.964   3.548   0.405  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.463   2.817   1.951  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.441  -2.265  -0.658  1.00  0.00           H  
HETATM   39  H   UNL     1       1.066  -2.779   0.186  1.00  0.00           H  
HETATM   40  H   UNL     1       1.116  -2.234  -1.508  1.00  0.00           H  
HETATM   41  H   UNL     1       3.387  -2.576   1.202  1.00  0.00           H  
HETATM   42  H   UNL     1       6.547  -0.877   0.632  1.00  0.00           H  
HETATM   43  H   UNL     1       5.807   0.020   1.979  1.00  0.00           H  
HETATM   44  H   UNL     1       6.528  -2.157   2.649  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   28   29                                            
CONECT    4    2   12   12    5                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7   30   31                                       
CONECT    7    6    8   32   33                                       
CONECT    8    9    7   34   35                                       
CONECT    9   10    8   36   37                                       
CONECT   10    5    5   11    9                                       
CONECT   11   12   10                                                 
CONECT   12   13    4    4   11                                       
CONECT   13   14   12   38                                            
CONECT   14   16   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   39   40                                       
CONECT   17   16   18   23                                            
CONECT   18   17   19   19   41                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21   42   43                                       
CONECT   21   20   44                                                 
CONECT   22   19   23   23   24                                       
CONECT   23   17   22   22                                            
CONECT   24   22   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
