COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.936  -1.840  -0.258  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.260  -0.862  -0.518  1.00  0.00           C  
HETATM    3  C   UNL     1       1.201  -0.998  -0.681  1.00  0.00           C  
HETATM    4  C   UNL     1       2.054  -0.751   0.398  1.00  0.00           C  
HETATM    5  F   UNL     1       1.545  -0.388   1.596  1.00  0.00           F  
HETATM    6  C   UNL     1       3.427  -0.881   0.235  1.00  0.00           C  
HETATM    7  N   UNL     1       4.286  -0.636   1.313  1.00  0.00           N  
HETATM    8  S   UNL     1       5.763   0.065   1.052  1.00  0.00           S  
HETATM    9  C   UNL     1       5.376   1.670   0.299  1.00  0.00           C  
HETATM   10  C   UNL     1       6.675   2.423   0.007  1.00  0.00           C  
HETATM   11  O   UNL     1       6.302   0.243   2.354  1.00  0.00           O  
HETATM   12  O   UNL     1       6.394  -0.789   0.108  1.00  0.00           O  
HETATM   13  C   UNL     1       3.948  -1.256  -0.996  1.00  0.00           C  
HETATM   14  C   UNL     1       3.106  -1.500  -2.066  1.00  0.00           C  
HETATM   15  C   UNL     1       1.738  -1.379  -1.916  1.00  0.00           C  
HETATM   16  F   UNL     1       0.919  -1.624  -2.963  1.00  0.00           F  
HETATM   17  C   UNL     1      -0.898   0.451  -0.675  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.318   0.776  -0.451  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.431   0.041  -0.057  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.450   2.149  -0.726  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.206   2.615  -1.088  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.292   1.615  -1.052  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.634   2.737  -0.609  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.706   2.073  -0.239  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.651   0.708   0.051  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.874  -0.023   0.467  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.821  -1.384   0.755  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.906  -2.034   1.124  1.00  0.00           N  
HETATM   29  C   UNL     1      -8.074  -1.432   1.235  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.209  -0.082   0.966  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.096   0.646   0.580  1.00  0.00           C  
HETATM   32  H   UNL     1       4.016  -0.876   2.213  1.00  0.00           H  
HETATM   33  H   UNL     1       4.830   1.513  -0.631  1.00  0.00           H  
HETATM   34  H   UNL     1       4.764   2.255   0.986  1.00  0.00           H  
HETATM   35  H   UNL     1       7.288   1.838  -0.680  1.00  0.00           H  
HETATM   36  H   UNL     1       6.443   3.387  -0.446  1.00  0.00           H  
HETATM   37  H   UNL     1       7.222   2.580   0.937  1.00  0.00           H  
HETATM   38  H   UNL     1       5.016  -1.356  -1.119  1.00  0.00           H  
HETATM   39  H   UNL     1       3.519  -1.791  -3.020  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.353  -1.014   0.159  1.00  0.00           H  
HETATM   41  H   UNL     1       0.756   1.722  -1.289  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.649   2.593  -0.158  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.883  -1.912   0.675  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.939  -2.002   1.540  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.171   0.400   1.060  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.172   1.702   0.369  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.010   3.534  -1.331  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   17                                       
CONECT    3    2    4    4   15                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4                                                      
CONECT    6    4    7   13   13                                       
CONECT    7    6    8   32                                            
CONECT    8    7    9   11   11                                       
CONECT    8   12   12                                                 
CONECT    9    8   10   33   34                                       
CONECT   10    9   35   36   37                                       
CONECT   11    8    8                                                 
CONECT   12    8    8                                                 
CONECT   13    6    6   14   38                                       
CONECT   14   13   15   15   39                                       
CONECT   15    3   14   14   16                                       
CONECT   16   15                                                      
CONECT   17    2   18   22   22                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   25   40                                       
CONECT   20   18   21   23   23                                       
CONECT   21   20   22   47                                            
CONECT   22   17   17   21   41                                       
CONECT   23   20   20   24                                            
CONECT   24   23   25   25   42                                       
CONECT   25   19   24   24   26                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   43                                       
CONECT   28   27   29   29                                            
CONECT   29   28   28   30   44                                       
CONECT   30   29   31   31   45                                       
CONECT   31   26   30   30   46                                       
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   19                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   27                                                      
CONECT   44   29                                                      
CONECT   45   30                                                      
CONECT   46   31                                                      
CONECT   47   21                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
