COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.831  -1.359  -1.154  1.00  0.00           O  
HETATM    2  S   UNL     1       5.799  -1.796  -0.280  1.00  0.00           S  
HETATM    3  O   UNL     1       4.882  -2.806  -0.677  1.00  0.00           O  
HETATM    4  C   UNL     1       6.468  -2.154   1.367  1.00  0.00           C  
HETATM    5  C   UNL     1       4.795  -0.366  -0.046  1.00  0.00           C  
HETATM    6  C   UNL     1       3.423  -0.459  -0.172  1.00  0.00           C  
HETATM    7  C   UNL     1       5.382   0.845   0.270  1.00  0.00           C  
HETATM    8  C   UNL     1       6.879   0.941   0.413  1.00  0.00           C  
HETATM    9  O   UNL     1       7.234   2.261   0.829  1.00  0.00           O  
HETATM   10  C   UNL     1       4.598   1.969   0.455  1.00  0.00           C  
HETATM   11  C   UNL     1       3.226   1.885   0.326  1.00  0.00           C  
HETATM   12  C   UNL     1       2.632   0.668   0.019  1.00  0.00           C  
HETATM   13  N   UNL     1       1.245   0.579  -0.113  1.00  0.00           N  
HETATM   14  C   UNL     1       0.609   1.885   0.112  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.899   1.762  -0.119  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.161   1.346  -1.567  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.665   1.387  -1.845  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.442   2.310  -2.513  1.00  0.00           C  
HETATM   19  C   UNL     1       0.693  -0.436   0.795  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.815  -0.558   0.564  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.450   0.747   0.790  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.825   0.659   0.660  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.375  -0.514   0.381  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.685  -0.632   0.250  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.302  -1.971  -0.066  1.00  0.00           C  
HETATM   26  F   UNL     1      -6.268  -2.279   0.898  1.00  0.00           F  
HETATM   27  F   UNL     1      -5.904  -1.920  -1.328  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.308  -2.955  -0.062  1.00  0.00           F  
HETATM   29  N   UNL     1      -3.561   1.749   0.821  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.878   1.699   0.703  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.485   0.489   0.407  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.982   0.393   0.265  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.564   1.681   0.479  1.00  0.00           O  
HETATM   34  H   UNL     1       7.016  -3.096   1.340  1.00  0.00           H  
HETATM   35  H   UNL     1       7.141  -1.351   1.668  1.00  0.00           H  
HETATM   36  H   UNL     1       5.649  -2.230   2.083  1.00  0.00           H  
HETATM   37  H   UNL     1       2.966  -1.405  -0.419  1.00  0.00           H  
HETATM   38  H   UNL     1       7.220   0.222   1.158  1.00  0.00           H  
HETATM   39  H   UNL     1       7.350   0.723  -0.545  1.00  0.00           H  
HETATM   40  H   UNL     1       8.186   2.396   0.941  1.00  0.00           H  
HETATM   41  H   UNL     1       5.060   2.914   0.701  1.00  0.00           H  
HETATM   42  H   UNL     1       2.614   2.763   0.470  1.00  0.00           H  
HETATM   43  H   UNL     1       0.795   2.207   1.137  1.00  0.00           H  
HETATM   44  H   UNL     1       1.026   2.616  -0.580  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.376   2.723   0.076  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.789   0.335  -1.728  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.094   2.280  -1.391  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.835   1.409  -2.922  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.137   0.501  -1.421  1.00  0.00           H  
HETATM   50  H   UNL     1       0.630   2.282  -2.315  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.628   2.014  -3.545  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.813   3.322  -2.352  1.00  0.00           H  
HETATM   53  H   UNL     1       1.170  -1.397   0.600  1.00  0.00           H  
HETATM   54  H   UNL     1       0.880  -0.140   1.828  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.001  -0.881  -0.460  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.231  -1.290   1.257  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.472   2.591   0.835  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.230   0.045  -0.738  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.373  -0.309   1.001  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.528   1.694   0.403  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    4    3    3                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   34   35   36                                       
CONECT    5    6    6    7    2                                       
CONECT    6   12    5    5   37                                       
CONECT    7   10   10    5    8                                       
CONECT    8    7    9   38   39                                       
CONECT    9    8   40                                                 
CONECT   10   11    7    7   41                                       
CONECT   11   12   12   10   42                                       
CONECT   12   13   11   11    6                                       
CONECT   13   14   19   12                                            
CONECT   14   15   13   43   44                                       
CONECT   15   21   14   16   45                                       
CONECT   16   15   18   17   46                                       
CONECT   17   16   47   48   49                                       
CONECT   18   16   50   51   52                                       
CONECT   19   20   13   53   54                                       
CONECT   20   21   19   55   56                                       
CONECT   21   22   15   20                                            
CONECT   22   29   29   23   21                                       
CONECT   23   24   24   22                                            
CONECT   24   31   25   23   23                                       
CONECT   25   27   26   24   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   30   22   22                                            
CONECT   30   31   31   29   57                                       
CONECT   31   32   30   30   24                                       
CONECT   32   33   31   58   59                                       
CONECT   33   32   60                                                 
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
