COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      16.003   2.738   0.457  1.00  0.00           C  
HETATM    2  C   UNL     1      15.018   3.419  -0.496  1.00  0.00           C  
HETATM    3  C   UNL     1      14.575   4.757   0.098  1.00  0.00           C  
HETATM    4  O   UNL     1      15.654   3.644  -1.756  1.00  0.00           O  
HETATM    5  C   UNL     1      13.815   2.533  -0.692  1.00  0.00           C  
HETATM    6  O   UNL     1      13.529   2.134  -1.802  1.00  0.00           O  
HETATM    7  S   UNL     1      12.851   2.090   0.651  1.00  0.00           S  
HETATM    8  C   UNL     1      11.610   1.065  -0.177  1.00  0.00           C  
HETATM    9  C   UNL     1      10.609   0.541   0.856  1.00  0.00           C  
HETATM   10  N   UNL     1       9.605  -0.288   0.186  1.00  0.00           N  
HETATM   11  C   UNL     1       8.616  -0.860   0.901  1.00  0.00           C  
HETATM   12  O   UNL     1       8.559  -0.688   2.101  1.00  0.00           O  
HETATM   13  C   UNL     1       7.583  -1.713   0.212  1.00  0.00           C  
HETATM   14  C   UNL     1       6.583  -2.237   1.245  1.00  0.00           C  
HETATM   15  N   UNL     1       5.578  -3.066   0.574  1.00  0.00           N  
HETATM   16  C   UNL     1       4.590  -3.638   1.290  1.00  0.00           C  
HETATM   17  O   UNL     1       4.584  -3.543   2.499  1.00  0.00           O  
HETATM   18  C   UNL     1       3.492  -4.394   0.588  1.00  0.00           C  
HETATM   19  O   UNL     1       3.854  -4.601  -0.779  1.00  0.00           O  
HETATM   20  C   UNL     1       2.193  -3.588   0.655  1.00  0.00           C  
HETATM   21  C   UNL     1       1.726  -3.494   2.109  1.00  0.00           C  
HETATM   22  C   UNL     1       2.438  -2.181   0.106  1.00  0.00           C  
HETATM   23  C   UNL     1       1.117  -4.283  -0.182  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.095  -3.530  -0.119  1.00  0.00           O  
HETATM   25  P   UNL     1      -1.441  -3.969  -0.885  1.00  0.00           P  
HETATM   26  O   UNL     1      -1.981  -5.356  -0.270  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.153  -4.148  -2.326  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.562  -2.828  -0.700  1.00  0.00           O  
HETATM   29  P   UNL     1      -3.959  -2.504  -1.431  1.00  0.00           P  
HETATM   30  O   UNL     1      -4.733  -3.755  -1.593  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.671  -1.860  -2.878  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.802  -1.463  -0.538  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.133  -1.057  -0.865  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.637  -0.066   0.187  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.876   1.151   0.115  1.00  0.00           O  
HETATM   36  C   UNL     1      -8.108   0.295  -0.096  1.00  0.00           C  
HETATM   37  O   UNL     1      -8.934  -0.069   1.012  1.00  0.00           O  
HETATM   38  P   UNL     1     -10.152  -1.115   0.890  1.00  0.00           P  
HETATM   39  O   UNL     1     -11.079  -0.672  -0.175  1.00  0.00           O  
HETATM   40  O   UNL     1      -9.573  -2.572   0.526  1.00  0.00           O  
HETATM   41  O   UNL     1     -10.940  -1.186   2.292  1.00  0.00           O  
HETATM   42  C   UNL     1      -8.093   1.833  -0.278  1.00  0.00           C  
HETATM   43  O   UNL     1      -9.223   2.433   0.358  1.00  0.00           O  
HETATM   44  C   UNL     1      -6.778   2.232   0.439  1.00  0.00           C  
HETATM   45  N   UNL     1      -6.270   3.502  -0.084  1.00  0.00           N  
HETATM   46  C   UNL     1      -5.339   3.655  -1.069  1.00  0.00           C  
HETATM   47  N   UNL     1      -5.123   4.920  -1.283  1.00  0.00           N  
HETATM   48  C   UNL     1      -5.898   5.658  -0.453  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.648   4.757   0.323  1.00  0.00           C  
HETATM   50  N   UNL     1      -7.501   5.234   1.223  1.00  0.00           N  
HETATM   51  C   UNL     1      -7.647   6.532   1.387  1.00  0.00           C  
HETATM   52  N   UNL     1      -6.967   7.417   0.680  1.00  0.00           N  
HETATM   53  C   UNL     1      -6.086   7.034  -0.238  1.00  0.00           C  
HETATM   54  N   UNL     1      -5.380   7.968  -0.975  1.00  0.00           N  
HETATM   55  H   UNL     1      16.873   3.379   0.598  1.00  0.00           H  
HETATM   56  H   UNL     1      15.518   2.566   1.418  1.00  0.00           H  
HETATM   57  H   UNL     1      16.319   1.785   0.033  1.00  0.00           H  
HETATM   58  H   UNL     1      13.874   5.242  -0.581  1.00  0.00           H  
HETATM   59  H   UNL     1      14.091   4.585   1.059  1.00  0.00           H  
HETATM   60  H   UNL     1      15.446   5.398   0.240  1.00  0.00           H  
HETATM   61  H   UNL     1      16.438   4.208  -1.706  1.00  0.00           H  
HETATM   62  H   UNL     1      11.084   1.663  -0.922  1.00  0.00           H  
HETATM   63  H   UNL     1      12.101   0.224  -0.666  1.00  0.00           H  
HETATM   64  H   UNL     1      11.135  -0.056   1.601  1.00  0.00           H  
HETATM   65  H   UNL     1      10.118   1.383   1.345  1.00  0.00           H  
HETATM   66  H   UNL     1       9.651  -0.426  -0.774  1.00  0.00           H  
HETATM   67  H   UNL     1       7.057  -1.115  -0.533  1.00  0.00           H  
HETATM   68  H   UNL     1       8.074  -2.554  -0.277  1.00  0.00           H  
HETATM   69  H   UNL     1       7.109  -2.834   1.989  1.00  0.00           H  
HETATM   70  H   UNL     1       6.092  -1.395   1.734  1.00  0.00           H  
HETATM   71  H   UNL     1       5.624  -3.204  -0.385  1.00  0.00           H  
HETATM   72  H   UNL     1       3.346  -5.359   1.075  1.00  0.00           H  
HETATM   73  H   UNL     1       4.000  -3.784  -1.275  1.00  0.00           H  
HETATM   74  H   UNL     1       2.457  -2.931   2.690  1.00  0.00           H  
HETATM   75  H   UNL     1       0.762  -2.987   2.149  1.00  0.00           H  
HETATM   76  H   UNL     1       1.627  -4.497   2.525  1.00  0.00           H  
HETATM   77  H   UNL     1       2.770  -2.248  -0.930  1.00  0.00           H  
HETATM   78  H   UNL     1       1.512  -1.607   0.154  1.00  0.00           H  
HETATM   79  H   UNL     1       3.204  -1.686   0.703  1.00  0.00           H  
HETATM   80  H   UNL     1       1.450  -4.350  -1.218  1.00  0.00           H  
HETATM   81  H   UNL     1       0.943  -5.285   0.209  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.191  -5.312   0.673  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.167  -1.035  -2.848  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.138  -0.580  -1.845  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.785  -1.930  -0.882  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.544  -0.502   1.181  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.452  -0.193  -1.007  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.957  -2.926   1.182  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.688  -1.798   2.292  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.056   2.099  -1.334  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.258   3.395   0.272  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.931   2.293   1.516  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.853   2.845  -1.593  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.349   6.887   2.127  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.747   7.676  -1.650  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.519   8.915  -0.818  1.00  0.00           H  
CONECT    1    2   55   56   57                                       
CONECT    2    3    5    4    1                                       
CONECT    3    2   58   59   60                                       
CONECT    4    2   61                                                 
CONECT    5    6    6    2    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8                                                 
CONECT    8    9    7   62   63                                       
CONECT    9    8   10   64   65                                       
CONECT   10    9   11   66                                            
CONECT   11   10   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   67   68                                       
CONECT   14   13   15   69   70                                       
CONECT   15   16   14   71                                            
CONECT   16   18   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   20   72                                       
CONECT   19   18   73                                                 
CONECT   20   18   21   22   23                                       
CONECT   21   20   74   75   76                                       
CONECT   22   20   77   78   79                                       
CONECT   23   20   24   80   81                                       
CONECT   24   23   25                                                 
CONECT   25   24   27   27   26                                       
CONECT   25   28                                                      
CONECT   26   25   82                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29                                                 
CONECT   29   30   30   28   32                                       
CONECT   29   31                                                      
CONECT   30   29   29                                                 
CONECT   31   29   83                                                 
CONECT   32   33   29                                                 
CONECT   33   34   32   84   85                                       
CONECT   34   36   33   35   86                                       
CONECT   35   34   44                                                 
CONECT   36   37   34   42   87                                       
CONECT   37   38   36                                                 
CONECT   38   39   39   40   41                                       
CONECT   38   37                                                      
CONECT   39   38   38                                                 
CONECT   40   38   88                                                 
CONECT   41   38   89                                                 
CONECT   42   36   43   44   90                                       
CONECT   43   42   91                                                 
CONECT   44   42   35   45   92                                       
CONECT   45   44   46   49                                            
CONECT   46   45   47   47   93                                       
CONECT   47   46   46   48                                            
CONECT   48   49   47   53   53                                       
CONECT   49   45   50   50   48                                       
CONECT   50   49   49   51                                            
CONECT   51   50   52   52   94                                       
CONECT   52   51   51   53                                            
CONECT   53   48   48   52   54                                       
CONECT   54   53   95   96                                            
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   26                                                      
CONECT   83   31                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   36                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   46                                                      
CONECT   94   51                                                      
CONECT   95   54                                                      
CONECT   96   54                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
