COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.296  -7.653   0.189  1.00  0.00           N  
HETATM    2  O   UNL     1      -5.396   2.710   2.404  1.00  0.00           O  
HETATM    3  P   UNL     1      -4.947   2.724   0.993  1.00  0.00           P  
HETATM    4  C   UNL     1      13.318  -1.746  -0.955  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.198  -2.497  -0.428  1.00  0.00           C  
HETATM    6  S   UNL     1      12.356  -0.750  -1.961  1.00  0.00           S  
HETATM    7  C   UNL     1      -7.401  -6.953  -0.926  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.502   4.049   0.266  1.00  0.00           O  
HETATM    9  P   UNL     1      -2.189   3.449   1.802  1.00  0.00           P  
HETATM   10  C   UNL     1      14.559  -2.399  -1.507  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.666  -2.066  -0.643  1.00  0.00           C  
HETATM   12  O   UNL     1      -9.182  -2.634  -1.849  1.00  0.00           O  
HETATM   13  C   UNL     1      11.063  -0.274  -0.787  1.00  0.00           C  
HETATM   14  N   UNL     1      -7.360  -5.637  -0.941  1.00  0.00           N  
HETATM   15  O   UNL     1      -3.338   2.719   0.943  1.00  0.00           O  
HETATM   16  C   UNL     1      15.220  -3.216  -0.427  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.593  -0.527  -0.757  1.00  0.00           C  
HETATM   18  O   UNL     1      -9.062  -0.097  -2.037  1.00  0.00           O  
HETATM   19  P   UNL     1     -10.297   0.919  -2.222  1.00  0.00           P  
HETATM   20  C   UNL     1      10.057   0.646  -1.482  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.209  -4.952   0.188  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.965   2.654   3.184  1.00  0.00           O  
HETATM   23  C   UNL     1      14.876  -4.544  -0.257  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.090  -0.210  -0.597  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.551  -1.334   0.133  1.00  0.00           O  
HETATM   26  N   UNL     1       9.010   1.031  -0.531  1.00  0.00           N  
HETATM   27  O   UNL     1      13.001  -1.926   0.202  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.094  -5.651   1.401  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.602   4.840   2.095  1.00  0.00           O  
HETATM   30  C   UNL     1      15.482  -5.294   0.734  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.900   1.083   0.200  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.512   1.420   0.237  1.00  0.00           O  
HETATM   33  C   UNL     1       8.009   1.844  -0.924  1.00  0.00           C  
HETATM   34  O   UNL     1       7.975   2.257  -2.064  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.143  -7.055   1.365  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.034  -7.798   2.528  1.00  0.00           N  
HETATM   37  O   UNL     1      -0.816   3.463   0.962  1.00  0.00           O  
HETATM   38  C   UNL     1      16.174  -2.639   0.391  1.00  0.00           C  
HETATM   39  C   UNL     1       6.933   2.241   0.053  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.951  -4.728   2.382  1.00  0.00           N  
HETATM   41  O   UNL     1     -11.647   0.225  -1.686  1.00  0.00           O  
HETATM   42  C   UNL     1      16.779  -3.388   1.381  1.00  0.00           C  
HETATM   43  C   UNL     1       5.927   3.161  -0.641  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.971  -3.535   1.861  1.00  0.00           C  
HETATM   45  O   UNL     1     -10.039   2.155  -1.451  1.00  0.00           O  
HETATM   46  C   UNL     1      16.432  -4.715   1.555  1.00  0.00           C  
HETATM   47  N   UNL     1       4.881   3.546   0.309  1.00  0.00           N  
HETATM   48  N   UNL     1      -7.128  -3.621   0.510  1.00  0.00           N  
HETATM   49  O   UNL     1     -10.463   1.283  -3.781  1.00  0.00           O  
HETATM   50  C   UNL     1       3.880   4.359  -0.084  1.00  0.00           C  
HETATM   51  O   UNL     1       3.895   4.846  -1.194  1.00  0.00           O  
HETATM   52  C   UNL     1       2.743   4.662   0.857  1.00  0.00           C  
HETATM   53  O   UNL     1       3.077   4.210   2.171  1.00  0.00           O  
HETATM   54  C   UNL     1       1.479   3.946   0.378  1.00  0.00           C  
HETATM   55  C   UNL     1       0.364   4.132   1.410  1.00  0.00           C  
HETATM   56  C   UNL     1       1.036   4.535  -0.963  1.00  0.00           C  
HETATM   57  C   UNL     1       1.772   2.454   0.207  1.00  0.00           C  
HETATM   58  H   UNL     1      -6.736  -2.767  -1.378  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.525  -7.479  -1.861  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.246   4.124  -0.663  1.00  0.00           H  
HETATM   61  H   UNL     1      14.288  -3.049  -2.339  1.00  0.00           H  
HETATM   62  H   UNL     1      15.250  -1.631  -1.855  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.279  -2.360   0.209  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.193  -3.601  -1.855  1.00  0.00           H  
HETATM   65  H   UNL     1      10.551  -1.167  -0.428  1.00  0.00           H  
HETATM   66  H   UNL     1      11.513   0.251   0.056  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.170  -0.058   0.040  1.00  0.00           H  
HETATM   68  H   UNL     1      10.568   1.539  -1.840  1.00  0.00           H  
HETATM   69  H   UNL     1       9.607   0.122  -2.325  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.692   1.733   3.068  1.00  0.00           H  
HETATM   71  H   UNL     1      14.134  -4.996  -0.898  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.613  -0.128  -1.573  1.00  0.00           H  
HETATM   73  H   UNL     1       9.038   0.702   0.380  1.00  0.00           H  
HETATM   74  H   UNL     1      15.213  -6.331   0.867  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.457   1.889  -0.278  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.267   0.940   1.216  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.922  -7.349   3.381  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.070  -8.766   2.490  1.00  0.00           H  
HETATM   79  H   UNL     1      16.445  -1.603   0.255  1.00  0.00           H  
HETATM   80  H   UNL     1       6.422   1.348   0.412  1.00  0.00           H  
HETATM   81  H   UNL     1       7.383   2.765   0.896  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.879  -0.593  -2.147  1.00  0.00           H  
HETATM   83  H   UNL     1      17.525  -2.938   2.020  1.00  0.00           H  
HETATM   84  H   UNL     1       6.439   4.054  -1.000  1.00  0.00           H  
HETATM   85  H   UNL     1       5.477   2.636  -1.484  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.878  -2.614   2.417  1.00  0.00           H  
HETATM   87  H   UNL     1      16.905  -5.301   2.329  1.00  0.00           H  
HETATM   88  H   UNL     1       4.908   3.216   1.221  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.191   1.893  -3.967  1.00  0.00           H  
HETATM   90  H   UNL     1       2.565   5.738   0.877  1.00  0.00           H  
HETATM   91  H   UNL     1       3.249   3.260   2.228  1.00  0.00           H  
HETATM   92  H   UNL     1       0.155   5.195   1.531  1.00  0.00           H  
HETATM   93  H   UNL     1       0.680   3.712   2.365  1.00  0.00           H  
HETATM   94  H   UNL     1       1.796   4.334  -1.717  1.00  0.00           H  
HETATM   95  H   UNL     1       0.093   4.080  -1.267  1.00  0.00           H  
HETATM   96  H   UNL     1       0.902   5.612  -0.860  1.00  0.00           H  
HETATM   97  H   UNL     1       2.088   2.034   1.162  1.00  0.00           H  
HETATM   98  H   UNL     1       0.872   1.944  -0.135  1.00  0.00           H  
HETATM   99  H   UNL     1       2.566   2.322  -0.528  1.00  0.00           H  
CONECT    1   35   35    7                                            
CONECT    2    3    3                                                 
CONECT    3    2    2    8   15                                       
CONECT    3   32                                                      
CONECT    4    6   10   27   27                                       
CONECT    5   11   25   48   58                                       
CONECT    6    4   13                                                 
CONECT    7    1   14   14   59                                       
CONECT    8    3   60                                                 
CONECT    9   29   29   37   22                                       
CONECT    9   15                                                      
CONECT   10    4   16   61   62                                       
CONECT   11    5   17   12   63                                       
CONECT   12   11   64                                                 
CONECT   13    6   20   65   66                                       
CONECT   14    7    7   21                                            
CONECT   15    3    9                                                 
CONECT   16   10   23   23   38                                       
CONECT   17   11   24   18   67                                       
CONECT   18   17   19                                                 
CONECT   19   18   45   45   49                                       
CONECT   19   41                                                      
CONECT   20   13   26   68   69                                       
CONECT   21   14   48   28   28                                       
CONECT   22    9   70                                                 
CONECT   23   16   16   30   71                                       
CONECT   24   17   31   25   72                                       
CONECT   25    5   24                                                 
CONECT   26   20   33   73                                            
CONECT   27    4    4                                                 
CONECT   28   21   21   40   35                                       
CONECT   29    9    9                                                 
CONECT   30   23   46   46   74                                       
CONECT   31   24   32   75   76                                       
CONECT   32    3   31                                                 
CONECT   33   26   39   34   34                                       
CONECT   34   33   33                                                 
CONECT   35    1    1   28   36                                       
CONECT   36   35   77   78                                            
CONECT   37    9   55                                                 
CONECT   38   16   42   42   79                                       
CONECT   39   33   43   80   81                                       
CONECT   40   28   44   44                                            
CONECT   41   19   82                                                 
CONECT   42   38   38   46   83                                       
CONECT   43   39   47   84   85                                       
CONECT   44   40   40   48   86                                       
CONECT   45   19   19                                                 
CONECT   46   30   30   42   87                                       
CONECT   47   43   50   88                                            
CONECT   48    5   21   44                                            
CONECT   49   19   89                                                 
CONECT   50   47   51   51   52                                       
CONECT   51   50   50                                                 
CONECT   52   50   54   53   90                                       
CONECT   53   52   91                                                 
CONECT   54   52   57   55   56                                       
CONECT   55   37   54   92   93                                       
CONECT   56   54   94   95   96                                       
CONECT   57   54   97   98   99                                       
CONECT   58    5                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   17                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   49                                                      
CONECT   90   52                                                      
CONECT   91   53                                                      
CONECT   92   55                                                      
CONECT   93   55                                                      
CONECT   94   56                                                      
CONECT   95   56                                                      
CONECT   96   56                                                      
CONECT   97   57                                                      
CONECT   98   57                                                      
CONECT   99   57                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
