COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.456  -1.754   1.674  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.828  -0.566   1.212  1.00  0.00           S  
HETATM    3  O   UNL     1      -7.863   0.074   0.298  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.468   0.471   2.115  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.439  -0.964   0.115  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.321  -1.622   0.926  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.200  -1.943   0.040  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.234  -1.062  -0.160  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.228   0.034   0.371  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.142  -3.133  -0.570  1.00  0.00           C  
HETATM   11  S   UNL     1      -4.282  -4.404  -0.437  1.00  0.00           S  
HETATM   12  S   UNL     1      -1.660  -3.141  -1.541  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.171  -1.503  -1.066  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.065  -0.815  -1.455  1.00  0.00           C  
HETATM   15  H   UNL     1      -5.776  -1.651  -0.662  1.00  0.00           H  
HETATM   16  H   UNL     1      -5.066  -0.050  -0.345  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.984  -0.936   1.703  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.695  -2.536   1.386  1.00  0.00           H  
HETATM   19  H   UNL     1       0.703  -1.308  -2.031  1.00  0.00           H  
HETATM   20  C   UNL     1       0.085   0.598  -1.091  1.00  0.00           C  
HETATM   21  C   UNL     1       1.336   1.297  -0.772  1.00  0.00           C  
HETATM   22  N   UNL     1       1.023   2.545  -0.503  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.360   2.707  -0.626  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.924   1.539  -0.986  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.054   3.906  -0.414  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.363   5.054  -0.051  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.049   6.234   0.158  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.423   6.273   0.005  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.114   5.131  -0.356  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.432   3.949  -0.572  1.00  0.00           C  
HETATM   31  C   UNL     1       2.695   0.706  -0.755  1.00  0.00           C  
HETATM   32  C   UNL     1       3.793   1.468  -1.156  1.00  0.00           C  
HETATM   33  C   UNL     1       5.056   0.916  -1.139  1.00  0.00           C  
HETATM   34  C   UNL     1       5.236  -0.397  -0.723  1.00  0.00           C  
HETATM   35  C   UNL     1       4.145  -1.158  -0.323  1.00  0.00           C  
HETATM   36  C   UNL     1       2.880  -0.610  -0.333  1.00  0.00           C  
HETATM   37  O   UNL     1       6.482  -0.938  -0.708  1.00  0.00           O  
HETATM   38  C   UNL     1       7.223  -0.802   0.423  1.00  0.00           C  
HETATM   39  C   UNL     1       8.514  -1.315   0.475  1.00  0.00           C  
HETATM   40  C   UNL     1       9.265  -1.174   1.628  1.00  0.00           C  
HETATM   41  C   UNL     1       8.733  -0.524   2.726  1.00  0.00           C  
HETATM   42  C   UNL     1       7.449  -0.014   2.675  1.00  0.00           C  
HETATM   43  C   UNL     1       6.696  -0.146   1.524  1.00  0.00           C  
HETATM   44  F   UNL     1       9.033  -1.951  -0.598  1.00  0.00           F  
HETATM   45  H   UNL     1      -8.674   0.345   0.751  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.976   1.365  -1.154  1.00  0.00           H  
HETATM   47  H   UNL     1       0.710   5.025   0.069  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.513   7.128   0.440  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.958   7.197   0.169  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.187   5.164  -0.474  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.973   3.057  -0.854  1.00  0.00           H  
HETATM   52  H   UNL     1       3.653   2.489  -1.480  1.00  0.00           H  
HETATM   53  H   UNL     1       5.906   1.505  -1.450  1.00  0.00           H  
HETATM   54  H   UNL     1       4.288  -2.178   0.000  1.00  0.00           H  
HETATM   55  H   UNL     1       2.032  -1.202  -0.021  1.00  0.00           H  
HETATM   56  H   UNL     1      10.268  -1.572   1.670  1.00  0.00           H  
HETATM   57  H   UNL     1       9.321  -0.415   3.625  1.00  0.00           H  
HETATM   58  H   UNL     1       7.036   0.493   3.535  1.00  0.00           H  
HETATM   59  H   UNL     1       5.693   0.254   1.486  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    1    1    4                                       
CONECT    2    4    3                                                 
CONECT    3    2   45                                                 
CONECT    4    2    2                                                 
CONECT    5    6    2   15   16                                       
CONECT    6    7    5   17   18                                       
CONECT    7   10    8    6                                            
CONECT    8   13    9    9    7                                       
CONECT    9    8    8                                                 
CONECT   10   12   11   11    7                                       
CONECT   11   10   10                                                 
CONECT   12   13   10                                                 
CONECT   13   14   14   12    8                                       
CONECT   14   13   13   19   20                                       
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19   14                                                      
CONECT   20   14   21   24   24                                       
CONECT   21   20   22   22   31                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   25                                            
CONECT   24   23   20   20   46                                       
CONECT   25   23   26   30   30                                       
CONECT   26   25   27   27   47                                       
CONECT   27   26   26   28   48                                       
CONECT   28   27   29   29   49                                       
CONECT   29   28   28   30   50                                       
CONECT   30   29   25   25   51                                       
CONECT   31   21   32   36   36                                       
CONECT   32   31   33   33   52                                       
CONECT   33   32   32   34   53                                       
CONECT   34   33   35   35   37                                       
CONECT   35   34   34   36   54                                       
CONECT   36   35   31   31   55                                       
CONECT   37   34   38                                                 
CONECT   38   37   39   43   43                                       
CONECT   39   38   40   40   44                                       
CONECT   40   39   39   41   56                                       
CONECT   41   40   42   42   57                                       
CONECT   42   41   41   43   58                                       
CONECT   43   42   38   38   59                                       
CONECT   44   39                                                      
CONECT   45    3                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   35                                                      
CONECT   55   36                                                      
CONECT   56   40                                                      
CONECT   57   41                                                      
CONECT   58   42                                                      
CONECT   59   43                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
