COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.528   4.492   5.257  1.00  0.00           O  
HETATM    2  C   UNL     1       4.169   3.388   4.623  1.00  0.00           C  
HETATM    3  C   UNL     1       3.377   3.101   3.350  1.00  0.00           C  
HETATM    4  O   UNL     1       2.851   3.995   2.688  1.00  0.00           O  
HETATM    5  N   UNL     1       3.348   1.754   3.028  1.00  0.00           N  
HETATM    6  C   UNL     1       2.682   1.239   1.854  1.00  0.00           C  
HETATM    7  C   UNL     1       3.653   1.209   0.682  1.00  0.00           C  
HETATM    8  C   UNL     1       4.853   0.318   0.946  1.00  0.00           C  
HETATM    9  O   UNL     1       5.013  -0.303   1.993  1.00  0.00           O  
HETATM   10  N   UNL     1       5.725   0.304  -0.133  1.00  0.00           N  
HETATM   11  C   UNL     1       6.949  -0.463  -0.143  1.00  0.00           C  
HETATM   12  C   UNL     1       8.143   0.314   0.396  1.00  0.00           C  
HETATM   13  S   UNL     1       9.662  -0.686   0.414  1.00  0.00           S  
HETATM   14  C   UNL     1      10.783   0.465   1.155  1.00  0.00           C  
HETATM   15  O   UNL     1      10.441   1.590   1.496  1.00  0.00           O  
HETATM   16  C   UNL     1      12.173  -0.110   1.302  1.00  0.00           C  
HETATM   17  S   UNL     1      13.305   1.084   2.056  1.00  0.00           S  
HETATM   18  C   UNL     1      14.801   0.068   2.063  1.00  0.00           C  
HETATM   19  C   UNL     1      15.982   0.851   2.630  1.00  0.00           C  
HETATM   20  C   UNL     1      17.253  -0.002   2.632  1.00  0.00           C  
HETATM   21  C   UNL     1      18.435   0.761   3.231  1.00  0.00           C  
HETATM   22  C   UNL     1      19.691  -0.094   3.266  1.00  0.00           C  
HETATM   23  C   UNL     1       5.671   3.723   4.382  1.00  0.00           C  
HETATM   24  C   UNL     1       6.338   2.515   3.680  1.00  0.00           C  
HETATM   25  C   UNL     1       6.409   3.948   5.716  1.00  0.00           C  
HETATM   26  C   UNL     1       5.827   4.972   3.480  1.00  0.00           C  
HETATM   27  O   UNL     1       7.201   5.276   3.261  1.00  0.00           O  
HETATM   28  P   UNL     1       7.564   6.552   2.340  1.00  0.00           P  
HETATM   29  O   UNL     1       9.025   6.831   2.139  1.00  0.00           O  
HETATM   30  O   UNL     1       6.720   7.769   2.990  1.00  0.00           O  
HETATM   31  O   UNL     1       6.742   6.202   0.993  1.00  0.00           O  
HETATM   32  P   UNL     1       6.498   7.061  -0.355  1.00  0.00           P  
HETATM   33  O   UNL     1       5.798   8.372  -0.143  1.00  0.00           O  
HETATM   34  O   UNL     1       5.711   6.033  -1.325  1.00  0.00           O  
HETATM   35  O   UNL     1       7.983   7.170  -0.988  1.00  0.00           O  
HETATM   36  C   UNL     1       8.738   5.995  -1.231  1.00  0.00           C  
HETATM   37  C   UNL     1      10.081   6.384  -1.823  1.00  0.00           C  
HETATM   38  O   UNL     1      10.812   7.189  -0.883  1.00  0.00           O  
HETATM   39  C   UNL     1      12.222   6.942  -1.072  1.00  0.00           C  
HETATM   40  N   UNL     1      12.838   6.623   0.216  1.00  0.00           N  
HETATM   41  C   UNL     1      12.246   5.944   1.249  1.00  0.00           C  
HETATM   42  N   UNL     1      13.051   5.810   2.283  1.00  0.00           N  
HETATM   43  C   UNL     1      14.216   6.428   1.904  1.00  0.00           C  
HETATM   44  C   UNL     1      15.431   6.620   2.555  1.00  0.00           C  
HETATM   45  N   UNL     1      16.423   7.284   1.915  1.00  0.00           N  
HETATM   46  C   UNL     1      16.170   7.730   0.661  1.00  0.00           C  
HETATM   47  N   UNL     1      15.041   7.607  -0.070  1.00  0.00           N  
HETATM   48  C   UNL     1      14.104   6.941   0.622  1.00  0.00           C  
HETATM   49  N   UNL     1      15.631   6.134   3.858  1.00  0.00           N  
HETATM   50  C   UNL     1      12.361   5.828  -2.111  1.00  0.00           C  
HETATM   51  O   UNL     1      12.667   6.404  -3.380  1.00  0.00           O  
HETATM   52  C   UNL     1      10.981   5.196  -2.114  1.00  0.00           C  
HETATM   53  O   UNL     1      10.653   4.567  -3.334  1.00  0.00           O  
HETATM   54  P   UNL     1      11.593   3.358  -3.844  1.00  0.00           P  
HETATM   55  O   UNL     1      11.183   2.738  -5.148  1.00  0.00           O  
HETATM   56  O   UNL     1      11.641   2.347  -2.583  1.00  0.00           O  
HETATM   57  O   UNL     1      13.064   4.029  -3.840  1.00  0.00           O  
HETATM   58  H   UNL     1       3.334   5.137   4.560  1.00  0.00           H  
HETATM   59  H   UNL     1       4.083   2.531   5.303  1.00  0.00           H  
HETATM   60  H   UNL     1       3.835   1.089   3.621  1.00  0.00           H  
HETATM   61  H   UNL     1       2.302   0.233   2.066  1.00  0.00           H  
HETATM   62  H   UNL     1       1.818   1.871   1.622  1.00  0.00           H  
HETATM   63  H   UNL     1       4.015   2.222   0.468  1.00  0.00           H  
HETATM   64  H   UNL     1       3.143   0.844  -0.219  1.00  0.00           H  
HETATM   65  H   UNL     1       5.493   0.857  -0.953  1.00  0.00           H  
HETATM   66  H   UNL     1       6.772  -1.340   0.488  1.00  0.00           H  
HETATM   67  H   UNL     1       7.119  -0.816  -1.165  1.00  0.00           H  
HETATM   68  H   UNL     1       8.326   1.212  -0.202  1.00  0.00           H  
HETATM   69  H   UNL     1       7.941   0.627   1.425  1.00  0.00           H  
HETATM   70  H   UNL     1      12.565  -0.381   0.316  1.00  0.00           H  
HETATM   71  H   UNL     1      12.137  -1.000   1.938  1.00  0.00           H  
HETATM   72  H   UNL     1      14.609  -0.828   2.661  1.00  0.00           H  
HETATM   73  H   UNL     1      15.007  -0.248   1.035  1.00  0.00           H  
HETATM   74  H   UNL     1      16.156   1.755   2.033  1.00  0.00           H  
HETATM   75  H   UNL     1      15.763   1.173   3.656  1.00  0.00           H  
HETATM   76  H   UNL     1      17.494  -0.305   1.606  1.00  0.00           H  
HETATM   77  H   UNL     1      17.079  -0.919   3.207  1.00  0.00           H  
HETATM   78  H   UNL     1      18.631   1.665   2.643  1.00  0.00           H  
HETATM   79  H   UNL     1      18.191   1.085   4.250  1.00  0.00           H  
HETATM   80  H   UNL     1      19.538  -0.992   3.874  1.00  0.00           H  
HETATM   81  H   UNL     1      19.980  -0.407   2.258  1.00  0.00           H  
HETATM   82  H   UNL     1      20.522   0.471   3.698  1.00  0.00           H  
HETATM   83  H   UNL     1       6.201   1.598   4.264  1.00  0.00           H  
HETATM   84  H   UNL     1       7.416   2.665   3.555  1.00  0.00           H  
HETATM   85  H   UNL     1       5.913   2.345   2.684  1.00  0.00           H  
HETATM   86  H   UNL     1       7.491   4.040   5.567  1.00  0.00           H  
HETATM   87  H   UNL     1       6.246   3.109   6.403  1.00  0.00           H  
HETATM   88  H   UNL     1       6.075   4.865   6.213  1.00  0.00           H  
HETATM   89  H   UNL     1       5.367   5.851   3.944  1.00  0.00           H  
HETATM   90  H   UNL     1       5.359   4.814   2.503  1.00  0.00           H  
HETATM   91  H   UNL     1       6.819   8.670   2.614  1.00  0.00           H  
HETATM   92  H   UNL     1       4.750   5.894  -1.189  1.00  0.00           H  
HETATM   93  H   UNL     1       8.875   5.462  -0.286  1.00  0.00           H  
HETATM   94  H   UNL     1       8.183   5.357  -1.925  1.00  0.00           H  
HETATM   95  H   UNL     1       9.907   6.982  -2.725  1.00  0.00           H  
HETATM   96  H   UNL     1      12.694   7.877  -1.392  1.00  0.00           H  
HETATM   97  H   UNL     1      11.232   5.574   1.190  1.00  0.00           H  
HETATM   98  H   UNL     1      16.986   8.258   0.179  1.00  0.00           H  
HETATM   99  H   UNL     1      15.101   6.520   4.616  1.00  0.00           H  
HETATM  100  H   UNL     1      16.366   5.474   4.030  1.00  0.00           H  
HETATM  101  H   UNL     1      13.153   5.108  -1.889  1.00  0.00           H  
HETATM  102  H   UNL     1      12.636   5.687  -4.038  1.00  0.00           H  
HETATM  103  H   UNL     1      10.913   4.461  -1.303  1.00  0.00           H  
HETATM  104  H   UNL     1      12.110   1.491  -2.679  1.00  0.00           H  
HETATM  105  H   UNL     1      13.819   3.519  -4.203  1.00  0.00           H  
CONECT    1    2   58                                                 
CONECT    2    1    3   23   59                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   60                                            
CONECT    6    5    7   61   62                                       
CONECT    7    6    8   63   64                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   65                                            
CONECT   11   10   12   66   67                                       
CONECT   12   11   13   68   69                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   70   71                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   72   73                                       
CONECT   19   18   20   74   75                                       
CONECT   20   19   21   76   77                                       
CONECT   21   20   22   78   79                                       
CONECT   22   21   80   81   82                                       
CONECT   23    2   24   25   26                                       
CONECT   24   23   83   84   85                                       
CONECT   25   23   86   87   88                                       
CONECT   26   23   27   89   90                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   91                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   33   34                                       
CONECT   32   35                                                      
CONECT   33   32   32                                                 
CONECT   34   32   92                                                 
CONECT   35   32   36                                                 
CONECT   36   35   37   93   94                                       
CONECT   37   36   38   52   95                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   50   96                                       
CONECT   40   39   41   48                                            
CONECT   41   40   42   42   97                                       
CONECT   42   41   41   43                                            
CONECT   43   42   44   44   48                                       
CONECT   44   43   43   45   49                                       
CONECT   45   44   46   46                                            
CONECT   46   45   45   47   98                                       
CONECT   47   46   48   48                                            
CONECT   48   40   43   47   47                                       
CONECT   49   44   99  100                                            
CONECT   50   39   51   52  101                                       
CONECT   51   50  102                                                 
CONECT   52   37   50   53  103                                       
CONECT   53   52   54                                                 
CONECT   54   53   55   55   56                                       
CONECT   54   57                                                      
CONECT   55   54   54                                                 
CONECT   56   54  104                                                 
CONECT   57   54  105                                                 
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   24                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   26                                                      
CONECT   90   26                                                      
CONECT   91   30                                                      
CONECT   92   34                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   39                                                      
CONECT   97   41                                                      
CONECT   98   46                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   51                                                      
CONECT  103   52                                                      
CONECT  104   56                                                      
CONECT  105   57                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
