COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       2.536  -1.478   1.350  1.00  0.00           F  
HETATM    2  C   UNL     1       2.210  -0.426   0.567  1.00  0.00           C  
HETATM    3  C   UNL     1       3.127   0.586   0.351  1.00  0.00           C  
HETATM    4  S   UNL     1       4.721   0.504   1.097  1.00  0.00           S  
HETATM    5  O   UNL     1       4.589  -0.339   2.234  1.00  0.00           O  
HETATM    6  N   UNL     1       5.717  -0.289   0.039  1.00  0.00           N  
HETATM    7  O   UNL     1       5.198   1.840   1.172  1.00  0.00           O  
HETATM    8  C   UNL     1       2.793   1.664  -0.452  1.00  0.00           C  
HETATM    9  F   UNL     1       3.691   2.652  -0.662  1.00  0.00           F  
HETATM   10  C   UNL     1       1.540   1.731  -1.041  1.00  0.00           C  
HETATM   11  F   UNL     1       1.218   2.783  -1.824  1.00  0.00           F  
HETATM   12  C   UNL     1       0.954  -0.364  -0.027  1.00  0.00           C  
HETATM   13  C   UNL     1       0.620   0.720  -0.827  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.971   0.802  -1.580  1.00  0.00           S  
HETATM   15  O   UNL     1      -0.841   1.822  -2.562  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.253  -0.540  -1.951  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.076   1.340  -0.247  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.518   1.364  -0.758  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.437   1.810   0.350  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.718   3.154   0.516  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.560   3.563   1.533  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.003   0.876   1.198  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.846   1.286   2.214  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.121   2.630   2.384  1.00  0.00           C  
HETATM   25  N   UNL     1       0.024  -1.388   0.190  1.00  0.00           N  
HETATM   26  C   UNL     1       0.296  -2.539  -0.681  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.723  -3.618  -0.419  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.902  -3.645  -1.140  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.837  -4.635  -0.900  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.592  -5.598   0.062  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.412  -5.571   0.782  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.475  -4.585   0.537  1.00  0.00           C  
HETATM   33  H   UNL     1       6.665  -0.083   0.018  1.00  0.00           H  
HETATM   34  H   UNL     1       5.353  -0.961  -0.559  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.999   0.646   0.591  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.791   2.339   0.082  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.595   2.057  -1.595  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.804   0.364  -1.086  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.279   3.883  -0.148  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.779   4.613   1.663  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.787  -0.174   1.066  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.288   0.556   2.876  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.780   2.950   3.178  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.919  -1.053   0.063  1.00  0.00           H  
HETATM   45  H   UNL     1       0.235  -2.227  -1.724  1.00  0.00           H  
HETATM   46  H   UNL     1       1.294  -2.924  -0.474  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.093  -2.892  -1.891  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.758  -4.655  -1.462  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.322  -6.371   0.250  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.221  -6.323   1.533  1.00  0.00           H  
HETATM   51  H   UNL     1       0.446  -4.564   1.100  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   12    1    3    3                                       
CONECT    3    2    2    8    4                                       
CONECT    4    3    6    5    5                                       
CONECT    4    7    7                                                 
CONECT    5    4    4                                                 
CONECT    6    4   33   34                                            
CONECT    7    4    4                                                 
CONECT    8   10   10    3    9                                       
CONECT    9    8                                                      
CONECT   10   13   11    8    8                                       
CONECT   11   10                                                      
CONECT   12   25   13   13    2                                       
CONECT   13   14   12   12   10                                       
CONECT   14   17   16   16   13                                       
CONECT   14   15   15                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   18   14   35   36                                       
CONECT   18   19   17   37   38                                       
CONECT   19   22   18   20   20                                       
CONECT   20   19   19   21   39                                       
CONECT   21   24   24   20   40                                       
CONECT   22   23   23   19   41                                       
CONECT   23   22   22   24   42                                       
CONECT   24   23   21   21   43                                       
CONECT   25   26   12   44                                            
CONECT   26   27   25   45   46                                       
CONECT   27   32   32   28   26                                       
CONECT   28   29   29   27   47                                       
CONECT   29   30   28   28   48                                       
CONECT   30   31   31   29   49                                       
CONECT   31   30   30   32   50                                       
CONECT   32   31   27   27   51                                       
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
