COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       4.076  -1.318  -0.359  1.00  0.00           O  
HETATM    2  S   UNL     1       2.733  -1.706  -0.616  1.00  0.00           S  
HETATM    3  O   UNL     1       2.364  -2.137  -1.919  1.00  0.00           O  
HETATM    4  C   UNL     1       2.245  -2.975   0.586  1.00  0.00           C  
HETATM    5  C   UNL     1       3.055  -4.224   0.353  1.00  0.00           C  
HETATM    6  C   UNL     1       2.589  -5.199  -0.509  1.00  0.00           C  
HETATM    7  C   UNL     1       3.334  -6.344  -0.725  1.00  0.00           C  
HETATM    8  C   UNL     1       4.540  -6.517  -0.072  1.00  0.00           C  
HETATM    9  C   UNL     1       5.003  -5.545   0.794  1.00  0.00           C  
HETATM   10  C   UNL     1       4.260  -4.399   1.007  1.00  0.00           C  
HETATM   11  C   UNL     1       1.623  -0.367  -0.100  1.00  0.00           C  
HETATM   12  C   UNL     1       1.851   0.855  -0.992  1.00  0.00           C  
HETATM   13  N   UNL     1       3.241   1.299  -0.867  1.00  0.00           N  
HETATM   14  C   UNL     1       3.723   1.677   0.334  1.00  0.00           C  
HETATM   15  O   UNL     1       3.034   1.561   1.329  1.00  0.00           O  
HETATM   16  N   UNL     1       4.968   2.184   0.431  1.00  0.00           N  
HETATM   17  C   UNL     1       5.777   2.461  -0.769  1.00  0.00           C  
HETATM   18  C   UNL     1       6.380   3.862  -0.625  1.00  0.00           C  
HETATM   19  O   UNL     1       7.123   3.941   0.592  1.00  0.00           O  
HETATM   20  C   UNL     1       6.193   3.882   1.672  1.00  0.00           C  
HETATM   21  C   UNL     1       5.569   2.489   1.740  1.00  0.00           C  
HETATM   22  C   UNL     1       0.928   1.968  -0.564  1.00  0.00           C  
HETATM   23  O   UNL     1       1.346   2.867   0.134  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.361   1.963  -0.956  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.257   3.044  -0.540  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.119   4.222  -1.508  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.702   2.542  -0.551  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.808   1.342   0.282  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.042   0.697   0.427  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.143  -0.440   1.217  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.361  -1.076   1.360  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.167   1.198  -0.214  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.383   0.558  -0.075  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.483  -0.579   0.714  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.681  -1.205   0.855  1.00  0.00           O  
HETATM   36  C   UNL     1      -8.628  -0.465   0.080  1.00  0.00           C  
HETATM   37  F   UNL     1      -8.227  -0.456  -1.260  1.00  0.00           F  
HETATM   38  F   UNL     1      -9.887  -1.065   0.186  1.00  0.00           F  
HETATM   39  F   UNL     1      -8.695   0.848   0.556  1.00  0.00           F  
HETATM   40  H   UNL     1       2.426  -2.607   1.596  1.00  0.00           H  
HETATM   41  H   UNL     1       1.186  -3.201   0.466  1.00  0.00           H  
HETATM   42  H   UNL     1       1.647  -5.064  -1.019  1.00  0.00           H  
HETATM   43  H   UNL     1       2.972  -7.103  -1.403  1.00  0.00           H  
HETATM   44  H   UNL     1       5.120  -7.413  -0.239  1.00  0.00           H  
HETATM   45  H   UNL     1       5.945  -5.681   1.304  1.00  0.00           H  
HETATM   46  H   UNL     1       4.622  -3.639   1.684  1.00  0.00           H  
HETATM   47  H   UNL     1       1.829  -0.104   0.937  1.00  0.00           H  
HETATM   48  H   UNL     1       0.588  -0.697  -0.193  1.00  0.00           H  
HETATM   49  H   UNL     1       1.645   0.592  -2.029  1.00  0.00           H  
HETATM   50  H   UNL     1       3.816   1.320  -1.649  1.00  0.00           H  
HETATM   51  H   UNL     1       6.575   1.723  -0.852  1.00  0.00           H  
HETATM   52  H   UNL     1       5.145   2.422  -1.656  1.00  0.00           H  
HETATM   53  H   UNL     1       7.043   4.061  -1.467  1.00  0.00           H  
HETATM   54  H   UNL     1       5.580   4.602  -0.610  1.00  0.00           H  
HETATM   55  H   UNL     1       6.710   4.096   2.608  1.00  0.00           H  
HETATM   56  H   UNL     1       5.407   4.621   1.515  1.00  0.00           H  
HETATM   57  H   UNL     1       4.802   2.466   2.514  1.00  0.00           H  
HETATM   58  H   UNL     1       6.340   1.752   1.965  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.695   1.244  -1.515  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.993   3.368   0.466  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.384   3.898  -2.514  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.786   5.026  -1.198  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.090   4.580  -1.500  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.360   3.317  -0.158  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.995   2.301  -1.573  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.023   0.994   0.734  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.269  -0.828   1.720  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.439  -1.961   1.974  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.089   2.083  -0.829  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.257   0.944  -0.578  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   11                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   40   41                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   42                                       
CONECT    7    6    6    8   43                                       
CONECT    8    7    9    9   44                                       
CONECT    9    8    8   10   45                                       
CONECT   10    5    5    9   46                                       
CONECT   11    2   12   47   48                                       
CONECT   12   11   13   22   49                                       
CONECT   13   12   14   50                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   21                                            
CONECT   17   16   18   51   52                                       
CONECT   18   17   19   53   54                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   55   56                                       
CONECT   21   16   20   57   58                                       
CONECT   22   12   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   59                                            
CONECT   25   24   26   27   60                                       
CONECT   26   25   61   62   63                                       
CONECT   27   25   28   64   65                                       
CONECT   28   27   29   66                                            
CONECT   29   28   30   30   32                                       
CONECT   30   29   29   31   67                                       
CONECT   31   30   34   34   68                                       
CONECT   32   29   33   33   69                                       
CONECT   33   32   32   34   70                                       
CONECT   34   31   31   33   35                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
