COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.120   2.783  -3.140  1.00  0.00           C  
HETATM    2  C   UNL     1       1.861   4.258  -2.823  1.00  0.00           C  
HETATM    3  C   UNL     1       0.718   4.774  -3.700  1.00  0.00           C  
HETATM    4  C   UNL     1       1.477   4.403  -1.349  1.00  0.00           C  
HETATM    5  O   UNL     1       0.295   3.644  -1.087  1.00  0.00           O  
HETATM    6  P   UNL     1      -0.394   3.568   0.366  1.00  0.00           P  
HETATM    7  O   UNL     1       0.603   3.116   1.362  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.941   5.025   0.777  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.621   2.527   0.324  1.00  0.00           O  
HETATM   10  P   UNL     1      -2.494   1.781   1.453  1.00  0.00           P  
HETATM   11  O   UNL     1      -2.871   2.750   2.506  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.625   0.592   2.104  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.825   1.169   0.785  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.856   0.536   1.544  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.970   0.071   0.604  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.513  -1.029  -0.212  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.713  -1.690  -0.668  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.414  -3.064  -1.080  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.358  -3.819  -0.664  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.399  -4.990  -1.229  1.00  0.00           N  
HETATM   21  C   UNL     1      -6.482  -5.062  -2.040  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.026  -6.050  -2.878  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.413  -7.285  -3.006  1.00  0.00           N  
HETATM   24  N   UNL     1      -8.142  -5.773  -3.543  1.00  0.00           N  
HETATM   25  C   UNL     1      -8.733  -4.598  -3.427  1.00  0.00           C  
HETATM   26  N   UNL     1      -8.260  -3.642  -2.655  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.149  -3.828  -1.950  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.653  -1.689   0.558  1.00  0.00           C  
HETATM   29  O   UNL     1      -9.007  -1.477   0.152  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.153  -0.504   1.414  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.182   0.477   1.562  1.00  0.00           O  
HETATM   32  P   UNL     1      -8.687   1.009   2.995  1.00  0.00           P  
HETATM   33  O   UNL     1      -7.531   1.519   3.766  1.00  0.00           O  
HETATM   34  O   UNL     1      -9.755   2.195   2.781  1.00  0.00           O  
HETATM   35  O   UNL     1      -9.380  -0.199   3.803  1.00  0.00           O  
HETATM   36  C   UNL     1       3.126   5.070  -3.104  1.00  0.00           C  
HETATM   37  O   UNL     1       2.843   6.462  -2.949  1.00  0.00           O  
HETATM   38  C   UNL     1       4.207   4.667  -2.134  1.00  0.00           C  
HETATM   39  O   UNL     1       4.572   5.442  -1.275  1.00  0.00           O  
HETATM   40  N   UNL     1       4.769   3.445  -2.221  1.00  0.00           N  
HETATM   41  C   UNL     1       5.749   3.016  -1.220  1.00  0.00           C  
HETATM   42  C   UNL     1       6.227   1.600  -1.548  1.00  0.00           C  
HETATM   43  C   UNL     1       7.236   1.160  -0.519  1.00  0.00           C  
HETATM   44  O   UNL     1       7.542   1.905   0.388  1.00  0.00           O  
HETATM   45  N   UNL     1       7.798  -0.062  -0.606  1.00  0.00           N  
HETATM   46  C   UNL     1       8.778  -0.491   0.394  1.00  0.00           C  
HETATM   47  C   UNL     1       9.256  -1.907   0.066  1.00  0.00           C  
HETATM   48  S   UNL     1      10.470  -2.437   1.305  1.00  0.00           S  
HETATM   49  C   UNL     1      10.911  -4.109   0.755  1.00  0.00           C  
HETATM   50  C   UNL     1      11.614  -4.030  -0.602  1.00  0.00           C  
HETATM   51  O   UNL     1       9.726  -4.898   0.633  1.00  0.00           O  
HETATM   52  C   UNL     1      11.849  -4.752   1.779  1.00  0.00           C  
HETATM   53  C   UNL     1      13.087  -3.906   1.927  1.00  0.00           C  
HETATM   54  O   UNL     1      14.119  -4.349   2.662  1.00  0.00           O  
HETATM   55  O   UNL     1      13.152  -2.829   1.383  1.00  0.00           O  
HETATM   56  H   UNL     1       1.193   2.220  -3.031  1.00  0.00           H  
HETATM   57  H   UNL     1       2.484   2.690  -4.163  1.00  0.00           H  
HETATM   58  H   UNL     1       2.868   2.390  -2.451  1.00  0.00           H  
HETATM   59  H   UNL     1       0.579   5.841  -3.525  1.00  0.00           H  
HETATM   60  H   UNL     1       0.962   4.608  -4.750  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.200   4.242  -3.452  1.00  0.00           H  
HETATM   62  H   UNL     1       2.291   4.035  -0.724  1.00  0.00           H  
HETATM   63  H   UNL     1       1.293   5.453  -1.124  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.600   5.385   0.168  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.342  -0.082   1.470  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.444  -0.324   2.072  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.262   1.244   2.266  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.306   0.897  -0.023  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.163  -1.135  -1.491  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.598  -3.492   0.031  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.599  -7.476  -2.514  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.798  -7.959  -3.587  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.639  -4.414  -3.986  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.562  -2.624   1.111  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.352  -2.162  -0.438  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.814  -0.853   2.389  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.102   2.565   3.605  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.146  -0.582   3.355  1.00  0.00           H  
HETATM   79  H   UNL     1       3.463   4.879  -4.123  1.00  0.00           H  
HETATM   80  H   UNL     1       2.538   6.706  -2.064  1.00  0.00           H  
HETATM   81  H   UNL     1       4.524   2.849  -2.946  1.00  0.00           H  
HETATM   82  H   UNL     1       6.600   3.698  -1.230  1.00  0.00           H  
HETATM   83  H   UNL     1       5.288   3.024  -0.233  1.00  0.00           H  
HETATM   84  H   UNL     1       5.377   0.918  -1.539  1.00  0.00           H  
HETATM   85  H   UNL     1       6.689   1.592  -2.536  1.00  0.00           H  
HETATM   86  H   UNL     1       7.553  -0.658  -1.331  1.00  0.00           H  
HETATM   87  H   UNL     1       9.629   0.191   0.385  1.00  0.00           H  
HETATM   88  H   UNL     1       8.317  -0.483   1.382  1.00  0.00           H  
HETATM   89  H   UNL     1       8.406  -2.589   0.075  1.00  0.00           H  
HETATM   90  H   UNL     1       9.718  -1.915  -0.921  1.00  0.00           H  
HETATM   91  H   UNL     1      12.543  -3.469  -0.498  1.00  0.00           H  
HETATM   92  H   UNL     1      11.835  -5.038  -0.955  1.00  0.00           H  
HETATM   93  H   UNL     1      10.965  -3.529  -1.319  1.00  0.00           H  
HETATM   94  H   UNL     1       9.229  -4.991   1.457  1.00  0.00           H  
HETATM   95  H   UNL     1      11.342  -4.825   2.741  1.00  0.00           H  
HETATM   96  H   UNL     1      12.128  -5.749   1.439  1.00  0.00           H  
HETATM   97  H   UNL     1      14.892  -3.772   2.728  1.00  0.00           H  
CONECT    1    2   56   57   58                                       
CONECT    2   36    4    1    3                                       
CONECT    3    2   59   60   61                                       
CONECT    4    5    2   62   63                                       
CONECT    5    6    4                                                 
CONECT    6    9    7    7    5                                       
CONECT    6    8                                                      
CONECT    7    6    6                                                 
CONECT    8    6   64                                                 
CONECT    9   10    6                                                 
CONECT   10   11   11   13    9                                       
CONECT   10   12                                                      
CONECT   11   10   10                                                 
CONECT   12   10   65                                                 
CONECT   13   10   14                                                 
CONECT   14   15   13   66   67                                       
CONECT   15   16   14   30   68                                       
CONECT   16   17   15                                                 
CONECT   17   16   18   28   69                                       
CONECT   18   27   19   17                                            
CONECT   19   20   20   18   70                                       
CONECT   20   21   19   19                                            
CONECT   21   22   22   27   20                                       
CONECT   22   24   23   21   21                                       
CONECT   23   22   71   72                                            
CONECT   24   25   25   22                                            
CONECT   25   24   24   26   73                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   21   18                                       
CONECT   28   17   30   29   74                                       
CONECT   29   28   75                                                 
CONECT   30   15   28   31   76                                       
CONECT   31   30   32                                                 
CONECT   32   33   33   31   34                                       
CONECT   32   35                                                      
CONECT   33   32   32                                                 
CONECT   34   32   77                                                 
CONECT   35   32   78                                                 
CONECT   36   38   37    2   79                                       
CONECT   37   36   80                                                 
CONECT   38   40   39   39   36                                       
CONECT   39   38   38                                                 
CONECT   40   41   38   81                                            
CONECT   41   40   42   82   83                                       
CONECT   42   41   43   84   85                                       
CONECT   43   44   44   45   42                                       
CONECT   44   43   43                                                 
CONECT   45   46   43   86                                            
CONECT   46   45   47   87   88                                       
CONECT   47   46   48   89   90                                       
CONECT   48   47   49                                                 
CONECT   49   48   50   52   51                                       
CONECT   50   49   91   92   93                                       
CONECT   51   49   94                                                 
CONECT   52   49   53   95   96                                       
CONECT   53   52   55   55   54                                       
CONECT   54   53   97                                                 
CONECT   55   53   53                                                 
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    8                                                      
CONECT   65   12                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   17                                                      
CONECT   70   19                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   47                                                      
CONECT   91   50                                                      
CONECT   92   50                                                      
CONECT   93   50                                                      
CONECT   94   51                                                      
CONECT   95   52                                                      
CONECT   96   52                                                      
CONECT   97   54                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
