COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.170   0.846  -0.376  1.00  0.00           C  
HETATM    2  C   UNL     1      11.881   0.989   0.437  1.00  0.00           C  
HETATM    3  C   UNL     1      10.712   0.402  -0.356  1.00  0.00           C  
HETATM    4  C   UNL     1       9.423   0.545   0.457  1.00  0.00           C  
HETATM    5  C   UNL     1       8.253  -0.042  -0.336  1.00  0.00           C  
HETATM    6  C   UNL     1       6.964   0.101   0.477  1.00  0.00           C  
HETATM    7  C   UNL     1       5.794  -0.486  -0.315  1.00  0.00           C  
HETATM    8  C   UNL     1       4.505  -0.343   0.497  1.00  0.00           C  
HETATM    9  N   UNL     1       3.382  -0.907  -0.264  1.00  0.00           N  
HETATM   10  C   UNL     1       2.125  -0.787   0.487  1.00  0.00           C  
HETATM   11  C   UNL     1       0.981  -1.383  -0.336  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.571  -1.235   0.591  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.787  -1.984  -0.527  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.173  -1.936   0.120  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.653  -0.575   0.180  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.203  -2.679  -0.758  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.417  -4.004  -0.266  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.490  -1.836  -0.622  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.540  -2.614  -0.042  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.086  -0.683   0.322  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.734   0.565  -0.089  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.223   1.497  -0.942  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.065   2.479  -1.084  1.00  0.00           N  
HETATM   24  C   UNL     1      -7.167   2.240  -0.334  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.971   1.006   0.310  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.922   0.537   1.110  1.00  0.00           N  
HETATM   27  C   UNL     1      -9.035   1.214   1.298  1.00  0.00           C  
HETATM   28  N   UNL     1      -9.266   2.375   0.713  1.00  0.00           N  
HETATM   29  C   UNL     1      -8.370   2.928  -0.098  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.621   4.144  -0.707  1.00  0.00           N  
HETATM   31  C   UNL     1      15.629   1.290  -0.396  1.00  0.00           C  
HETATM   32  C   UNL     1      14.340   1.433   0.417  1.00  0.00           C  
HETATM   33  H   UNL     1      13.359  -0.209  -0.574  1.00  0.00           H  
HETATM   34  H   UNL     1      13.066   1.380  -1.320  1.00  0.00           H  
HETATM   35  H   UNL     1      11.986   0.455   1.381  1.00  0.00           H  
HETATM   36  H   UNL     1      11.692   2.044   0.635  1.00  0.00           H  
HETATM   37  H   UNL     1      10.607   0.936  -1.300  1.00  0.00           H  
HETATM   38  H   UNL     1      10.900  -0.653  -0.554  1.00  0.00           H  
HETATM   39  H   UNL     1       9.527   0.011   1.401  1.00  0.00           H  
HETATM   40  H   UNL     1       9.234   1.600   0.655  1.00  0.00           H  
HETATM   41  H   UNL     1       8.149   0.492  -1.280  1.00  0.00           H  
HETATM   42  H   UNL     1       8.442  -1.097  -0.534  1.00  0.00           H  
HETATM   43  H   UNL     1       7.068  -0.433   1.421  1.00  0.00           H  
HETATM   44  H   UNL     1       6.775   1.156   0.675  1.00  0.00           H  
HETATM   45  H   UNL     1       5.690   0.048  -1.260  1.00  0.00           H  
HETATM   46  H   UNL     1       5.983  -1.541  -0.514  1.00  0.00           H  
HETATM   47  H   UNL     1       4.610  -0.878   1.441  1.00  0.00           H  
HETATM   48  H   UNL     1       4.317   0.712   0.695  1.00  0.00           H  
HETATM   49  H   UNL     1       3.305  -0.472  -1.171  1.00  0.00           H  
HETATM   50  H   UNL     1       2.213  -1.324   1.431  1.00  0.00           H  
HETATM   51  H   UNL     1       1.920   0.265   0.685  1.00  0.00           H  
HETATM   52  H   UNL     1       0.893  -0.846  -1.280  1.00  0.00           H  
HETATM   53  H   UNL     1       1.187  -2.435  -0.534  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.806  -1.431  -1.466  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.513  -3.021  -0.721  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.140  -2.373   1.118  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.871  -2.706  -1.796  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.056  -4.516  -0.781  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.797  -1.447  -1.594  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.792  -3.387  -0.566  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.348  -0.926   1.352  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.260   1.430  -1.427  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.788   0.804   1.955  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.964   4.532  -1.306  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.455   4.609  -0.536  1.00  0.00           H  
HETATM   66  H   UNL     1      15.818   0.235  -0.594  1.00  0.00           H  
HETATM   67  H   UNL     1      15.524   1.825  -1.340  1.00  0.00           H  
HETATM   68  H   UNL     1      16.462   1.709   0.169  1.00  0.00           H  
HETATM   69  H   UNL     1      14.151   2.488   0.615  1.00  0.00           H  
HETATM   70  H   UNL     1      14.444   0.899   1.361  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3   35   36                                       
CONECT    3    2    4   37   38                                       
CONECT    4    3    5   39   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6    5    7   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   10   49                                            
CONECT   10    9   11   50   51                                       
CONECT   11   10   12   52   53                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   16   56                                       
CONECT   15   14   20                                                 
CONECT   16   14   18   17   57                                       
CONECT   17   16   58                                                 
CONECT   18   16   20   19   59                                       
CONECT   19   18   60                                                 
CONECT   20   15   18   21   61                                       
CONECT   21   20   22   25                                            
CONECT   22   21   23   23   62                                       
CONECT   23   22   22   24                                            
CONECT   24   23   29   29   25                                       
CONECT   25   21   24   26   26                                       
CONECT   26   25   25   27                                            
CONECT   27   26   28   28   63                                       
CONECT   28   27   27   29                                            
CONECT   29   24   24   28   30                                       
CONECT   30   29   64   65                                            
CONECT   31   32   66   67   68                                       
CONECT   32    1   31   69   70                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   27                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
