COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.806  -1.417  -0.151  1.00  0.00           C  
HETATM    2  C   UNL     1       5.942  -2.304   0.349  1.00  0.00           C  
HETATM    3  C   UNL     1       7.056  -2.369  -0.698  1.00  0.00           C  
HETATM    4  C   UNL     1       6.270   0.262  -1.294  1.00  0.00           C  
HETATM    5  C   UNL     1       5.240   0.046  -0.183  1.00  0.00           C  
HETATM    6  S   UNL     1       7.759  -0.709  -0.918  1.00  0.00           S  
HETATM    7  C   UNL     1       3.620  -1.563   0.766  1.00  0.00           C  
HETATM    8  O   UNL     1       3.785  -1.879   1.926  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.735   2.765   0.944  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.478   3.727   0.288  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.897   4.487  -0.713  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.572   4.282  -1.056  1.00  0.00           C  
HETATM   13  C   UNL     1       0.170   3.319  -0.399  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.410   2.564   0.604  1.00  0.00           C  
HETATM   15  F   UNL     1      -2.624   5.428  -1.356  1.00  0.00           F  
HETATM   16  S   UNL     1       0.538   1.337   1.442  1.00  0.00           S  
HETATM   17  C   UNL     1       0.294  -0.170   0.462  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.169  -0.524   0.402  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.711  -1.380   1.343  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.052  -1.707   1.290  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.856  -1.175   0.292  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.310  -0.317  -0.651  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.969   0.011  -0.591  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.175  -1.495   0.238  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.942  -0.910  -0.817  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.372  -1.377  -0.717  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.283  -0.656   0.032  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.594  -1.084   0.124  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.994  -2.232  -0.533  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.083  -2.953  -1.282  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.773  -2.522  -1.379  1.00  0.00           C  
HETATM   32  O   UNL     1       1.879   1.793   1.331  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.092   1.214   2.710  1.00  0.00           O  
HETATM   34  C   UNL     1       1.105  -1.338   1.063  1.00  0.00           C  
HETATM   35  N   UNL     1       2.375  -1.344   0.299  1.00  0.00           N  
HETATM   36  C   UNL     1       1.966  -1.053  -1.094  1.00  0.00           C  
HETATM   37  C   UNL     1       0.859   0.019  -0.962  1.00  0.00           C  
HETATM   38  O   UNL     1       8.597  -0.718  -2.065  1.00  0.00           O  
HETATM   39  O   UNL     1       8.285  -0.269   0.327  1.00  0.00           O  
HETATM   40  H   UNL     1       4.523  -1.729  -1.157  1.00  0.00           H  
HETATM   41  H   UNL     1       6.341  -1.893   1.276  1.00  0.00           H  
HETATM   42  H   UNL     1       5.562  -3.309   0.534  1.00  0.00           H  
HETATM   43  H   UNL     1       7.834  -3.053  -0.361  1.00  0.00           H  
HETATM   44  H   UNL     1       6.646  -2.721  -1.645  1.00  0.00           H  
HETATM   45  H   UNL     1       5.852  -0.065  -2.247  1.00  0.00           H  
HETATM   46  H   UNL     1       6.528   1.319  -1.351  1.00  0.00           H  
HETATM   47  H   UNL     1       4.371   0.677  -0.367  1.00  0.00           H  
HETATM   48  H   UNL     1       5.682   0.313   0.777  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.188   2.172   1.725  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.513   3.886   0.555  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.118   4.874  -1.837  1.00  0.00           H  
HETATM   52  H   UNL     1       1.204   3.158  -0.666  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.085  -1.794   2.119  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.475  -2.376   2.025  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.933   0.099  -1.429  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.543   0.680  -1.325  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.907   0.176  -0.733  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.527  -1.214  -1.779  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.970   0.241   0.546  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.306  -0.521   0.710  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.018  -2.567  -0.461  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.395  -3.851  -1.795  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.061  -3.085  -1.965  1.00  0.00           H  
HETATM   64  H   UNL     1       1.299  -1.161   2.121  1.00  0.00           H  
HETATM   65  H   UNL     1       0.573  -2.280   0.927  1.00  0.00           H  
HETATM   66  H   UNL     1       2.808  -0.661  -1.664  1.00  0.00           H  
HETATM   67  H   UNL     1       1.571  -1.950  -1.570  1.00  0.00           H  
HETATM   68  H   UNL     1       0.080  -0.146  -1.706  1.00  0.00           H  
HETATM   69  H   UNL     1       1.283   1.017  -1.071  1.00  0.00           H  
CONECT    1    5    7    2   40                                       
CONECT    2    1    3   41   42                                       
CONECT    3    6    2   43   44                                       
CONECT    4    5    6   45   46                                       
CONECT    5    4    1   47   48                                       
CONECT    6    4   38   38    3                                       
CONECT    6   39   39                                                 
CONECT    7    1   35    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   14   14   10   49                                       
CONECT   10    9   11   11   50                                       
CONECT   11   10   10   12   15                                       
CONECT   12   13   13   11   51                                       
CONECT   13   14   12   12   52                                       
CONECT   14   16    9    9   13                                       
CONECT   15   11                                                      
CONECT   16   32   32   33   33                                       
CONECT   16   14   17                                                 
CONECT   17   16   37   18   34                                       
CONECT   18   17   23   19   19                                       
CONECT   19   18   18   20   53                                       
CONECT   20   21   21   19   54                                       
CONECT   21   22   20   20   24                                       
CONECT   22   23   23   21   55                                       
CONECT   23   22   22   18   56                                       
CONECT   24   21   25                                                 
CONECT   25   26   24   57   58                                       
CONECT   26   31   31   27   25                                       
CONECT   27   28   28   26   59                                       
CONECT   28   29   27   27   60                                       
CONECT   29   30   30   28   61                                       
CONECT   30   29   29   31   62                                       
CONECT   31   30   26   26   63                                       
CONECT   32   16   16                                                 
CONECT   33   16   16                                                 
CONECT   34   17   35   64   65                                       
CONECT   35   36    7   34                                            
CONECT   36   37   35   66   67                                       
CONECT   37   36   17   68   69                                       
CONECT   38    6    6                                                 
CONECT   39    6    6                                                 
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
