COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      20.802  -4.078   4.296  1.00  0.00           O  
HETATM    2  P   UNL     1      20.306  -5.400   3.523  1.00  0.00           P  
HETATM    3  O   UNL     1      19.616  -6.299   4.476  1.00  0.00           O  
HETATM    4  O   UNL     1      19.289  -4.984   2.346  1.00  0.00           O  
HETATM    5  C   UNL     1      21.737  -6.258   2.811  1.00  0.00           C  
HETATM    6  C   UNL     1      22.403  -7.218   3.547  1.00  0.00           C  
HETATM    7  C   UNL     1      23.495  -7.872   3.005  1.00  0.00           C  
HETATM    8  C   UNL     1      23.921  -7.566   1.726  1.00  0.00           C  
HETATM    9  C   UNL     1      23.258  -6.606   0.986  1.00  0.00           C  
HETATM   10  C   UNL     1      22.160  -5.953   1.525  1.00  0.00           C  
HETATM   11  O   UNL     1      21.506  -5.009   0.799  1.00  0.00           O  
HETATM   12  C   UNL     1      22.004  -4.738  -0.512  1.00  0.00           C  
HETATM   13  C   UNL     1      21.159  -3.672  -1.160  1.00  0.00           C  
HETATM   14  O   UNL     1      20.222  -3.191  -0.558  1.00  0.00           O  
HETATM   15  N   UNL     1      21.445  -3.252  -2.409  1.00  0.00           N  
HETATM   16  C   UNL     1      20.604  -2.333  -3.048  1.00  0.00           C  
HETATM   17  C   UNL     1      19.979  -1.338  -2.312  1.00  0.00           C  
HETATM   18  C   UNL     1      20.401  -2.415  -4.420  1.00  0.00           C  
HETATM   19  C   UNL     1      19.572  -1.509  -5.056  1.00  0.00           C  
HETATM   20  C   UNL     1      18.941  -0.518  -4.332  1.00  0.00           C  
HETATM   21  C   UNL     1      19.143  -0.425  -2.954  1.00  0.00           C  
HETATM   22  C   UNL     1      18.468   0.636  -2.175  1.00  0.00           C  
HETATM   23  O   UNL     1      18.645   0.716  -0.975  1.00  0.00           O  
HETATM   24  N   UNL     1      17.656   1.515  -2.796  1.00  0.00           N  
HETATM   25  C   UNL     1      16.987   2.565  -2.025  1.00  0.00           C  
HETATM   26  C   UNL     1      16.132   3.420  -2.963  1.00  0.00           C  
HETATM   27  O   UNL     1      15.078   2.621  -3.507  1.00  0.00           O  
HETATM   28  C   UNL     1      14.216   3.327  -4.400  1.00  0.00           C  
HETATM   29  C   UNL     1      13.132   2.380  -4.918  1.00  0.00           C  
HETATM   30  O   UNL     1      12.298   1.971  -3.832  1.00  0.00           O  
HETATM   31  C   UNL     1      11.247   1.079  -4.210  1.00  0.00           C  
HETATM   32  C   UNL     1      10.423   0.710  -2.975  1.00  0.00           C  
HETATM   33  O   UNL     1       9.767   1.876  -2.474  1.00  0.00           O  
HETATM   34  C   UNL     1       8.966   1.640  -1.314  1.00  0.00           C  
HETATM   35  C   UNL     1       8.316   2.951  -0.868  1.00  0.00           C  
HETATM   36  C   UNL     1       7.471   2.701   0.355  1.00  0.00           C  
HETATM   37  O   UNL     1       7.397   1.585   0.823  1.00  0.00           O  
HETATM   38  N   UNL     1       6.798   3.719   0.928  1.00  0.00           N  
HETATM   39  C   UNL     1       5.977   3.476   2.117  1.00  0.00           C  
HETATM   40  C   UNL     1       5.326   4.787   2.563  1.00  0.00           C  
HETATM   41  H   UNL     1      21.419  -4.253   5.020  1.00  0.00           H  
HETATM   42  H   UNL     1      18.949  -5.733   1.837  1.00  0.00           H  
HETATM   43  H   UNL     1      22.072  -7.459   4.546  1.00  0.00           H  
HETATM   44  H   UNL     1      24.015  -8.623   3.582  1.00  0.00           H  
HETATM   45  H   UNL     1      24.774  -8.078   1.305  1.00  0.00           H  
HETATM   46  H   UNL     1      23.593  -6.367  -0.013  1.00  0.00           H  
HETATM   47  H   UNL     1      23.036  -4.393  -0.445  1.00  0.00           H  
HETATM   48  H   UNL     1      21.963  -5.648  -1.111  1.00  0.00           H  
HETATM   49  H   UNL     1      22.232  -3.588  -2.865  1.00  0.00           H  
HETATM   50  H   UNL     1      20.139  -1.271  -1.246  1.00  0.00           H  
HETATM   51  H   UNL     1      20.893  -3.188  -4.992  1.00  0.00           H  
HETATM   52  H   UNL     1      19.418  -1.578  -6.122  1.00  0.00           H  
HETATM   53  H   UNL     1      18.295   0.188  -4.832  1.00  0.00           H  
HETATM   54  H   UNL     1      17.515   1.451  -3.754  1.00  0.00           H  
HETATM   55  H   UNL     1      16.351   2.110  -1.266  1.00  0.00           H  
HETATM   56  H   UNL     1      17.736   3.194  -1.543  1.00  0.00           H  
HETATM   57  H   UNL     1      15.705   4.254  -2.406  1.00  0.00           H  
HETATM   58  H   UNL     1      16.752   3.803  -3.773  1.00  0.00           H  
HETATM   59  H   UNL     1      13.749   4.160  -3.873  1.00  0.00           H  
HETATM   60  H   UNL     1      14.797   3.709  -5.240  1.00  0.00           H  
HETATM   61  H   UNL     1      12.528   2.893  -5.667  1.00  0.00           H  
HETATM   62  H   UNL     1      13.600   1.503  -5.367  1.00  0.00           H  
HETATM   63  H   UNL     1      10.604   1.565  -4.944  1.00  0.00           H  
HETATM   64  H   UNL     1      11.676   0.176  -4.644  1.00  0.00           H  
HETATM   65  H   UNL     1       9.678  -0.038  -3.246  1.00  0.00           H  
HETATM   66  H   UNL     1      11.082   0.305  -2.207  1.00  0.00           H  
HETATM   67  H   UNL     1       8.191   0.911  -1.551  1.00  0.00           H  
HETATM   68  H   UNL     1       9.594   1.254  -0.511  1.00  0.00           H  
HETATM   69  H   UNL     1       9.091   3.679  -0.632  1.00  0.00           H  
HETATM   70  H   UNL     1       7.687   3.336  -1.671  1.00  0.00           H  
HETATM   71  H   UNL     1       6.857   4.611   0.553  1.00  0.00           H  
HETATM   72  H   UNL     1       5.201   2.747   1.881  1.00  0.00           H  
HETATM   73  H   UNL     1       6.605   3.091   2.920  1.00  0.00           H  
HETATM   74  H   UNL     1       6.102   5.516   2.800  1.00  0.00           H  
HETATM   75  H   UNL     1       4.698   5.173   1.760  1.00  0.00           H  
HETATM   76  C   UNL     1       4.469   4.534   3.805  1.00  0.00           C  
HETATM   77  O   UNL     1       3.861   5.758   4.222  1.00  0.00           O  
HETATM   78  C   UNL     1       3.034   5.631   5.380  1.00  0.00           C  
HETATM   79  C   UNL     1       2.439   6.996   5.734  1.00  0.00           C  
HETATM   80  O   UNL     1       1.562   7.418   4.688  1.00  0.00           O  
HETATM   81  C   UNL     1       0.950   8.689   4.920  1.00  0.00           C  
HETATM   82  C   UNL     1       0.037   9.038   3.743  1.00  0.00           C  
HETATM   83  O   UNL     1      -1.042   8.104   3.683  1.00  0.00           O  
HETATM   84  C   UNL     1      -1.958   8.341   2.612  1.00  0.00           C  
HETATM   85  C   UNL     1      -3.066   7.287   2.645  1.00  0.00           C  
HETATM   86  C   UNL     1      -4.047   7.541   1.499  1.00  0.00           C  
HETATM   87  N   UNL     1      -5.108   6.532   1.531  1.00  0.00           N  
HETATM   88  C   UNL     1      -6.091   6.558   0.609  1.00  0.00           C  
HETATM   89  O   UNL     1      -6.097   7.417  -0.247  1.00  0.00           O  
HETATM   90  C   UNL     1      -7.182   5.519   0.642  1.00  0.00           C  
HETATM   91  C   UNL     1      -8.163   5.774  -0.504  1.00  0.00           C  
HETATM   92  O   UNL     1      -9.198   4.789  -0.473  1.00  0.00           O  
HETATM   93  C   UNL     1     -10.173   4.937  -1.508  1.00  0.00           C  
HETATM   94  C   UNL     1     -11.226   3.835  -1.378  1.00  0.00           C  
HETATM   95  C   UNL     1     -12.269   3.993  -2.486  1.00  0.00           C  
HETATM   96  C   UNL     1     -13.323   2.891  -2.356  1.00  0.00           C  
HETATM   97  C   UNL     1     -14.366   3.049  -3.464  1.00  0.00           C  
HETATM   98  O   UNL     1     -15.350   2.020  -3.342  1.00  0.00           O  
HETATM   99  C   UNL     1     -16.376   2.077  -4.335  1.00  0.00           C  
HETATM  100  C   UNL     1     -17.368   0.935  -4.109  1.00  0.00           C  
HETATM  101  N   UNL     1     -18.055   1.130  -2.829  1.00  0.00           N  
HETATM  102  C   UNL     1     -18.980   0.240  -2.419  1.00  0.00           C  
HETATM  103  C   UNL     1     -19.673   0.437  -1.127  1.00  0.00           C  
HETATM  104  O   UNL     1     -19.245  -0.725  -3.109  1.00  0.00           O  
HETATM  105  C   UNL     1     -20.631  -0.483  -0.700  1.00  0.00           C  
HETATM  106  C   UNL     1     -21.276  -0.291   0.512  1.00  0.00           C  
HETATM  107  C   UNL     1     -20.968   0.814   1.296  1.00  0.00           C  
HETATM  108  C   UNL     1     -20.019   1.725   0.873  1.00  0.00           C  
HETATM  109  C   UNL     1     -19.366   1.540  -0.329  1.00  0.00           C  
HETATM  110  N   UNL     1     -22.238  -1.211   0.945  1.00  0.00           N  
HETATM  111  C   UNL     1     -22.089  -2.522   0.671  1.00  0.00           C  
HETATM  112  C   UNL     1     -23.068  -3.524   1.226  1.00  0.00           C  
HETATM  113  O   UNL     1     -21.166  -2.895  -0.022  1.00  0.00           O  
HETATM  114  O   UNL     1     -22.700  -4.837   0.798  1.00  0.00           O  
HETATM  115  C   UNL     1     -23.486  -5.864   1.214  1.00  0.00           C  
HETATM  116  C   UNL     1     -24.590  -5.614   2.017  1.00  0.00           C  
HETATM  117  C   UNL     1     -25.388  -6.660   2.439  1.00  0.00           C  
HETATM  118  C   UNL     1     -25.087  -7.956   2.061  1.00  0.00           C  
HETATM  119  C   UNL     1     -23.988  -8.208   1.261  1.00  0.00           C  
HETATM  120  C   UNL     1     -23.190  -7.164   0.832  1.00  0.00           C  
HETATM  121  P   UNL     1     -21.749  -7.496  -0.218  1.00  0.00           P  
HETATM  122  O   UNL     1     -20.561  -7.727   0.634  1.00  0.00           O  
HETATM  123  O   UNL     1     -22.028  -8.803  -1.116  1.00  0.00           O  
HETATM  124  O   UNL     1     -21.482  -6.232  -1.178  1.00  0.00           O  
HETATM  125  H   UNL     1       3.693   3.805   3.569  1.00  0.00           H  
HETATM  126  H   UNL     1       5.097   4.148   4.608  1.00  0.00           H  
HETATM  127  H   UNL     1       2.229   4.925   5.177  1.00  0.00           H  
HETATM  128  H   UNL     1       3.632   5.269   6.216  1.00  0.00           H  
HETATM  129  H   UNL     1       1.881   6.918   6.667  1.00  0.00           H  
HETATM  130  H   UNL     1       3.242   7.723   5.851  1.00  0.00           H  
HETATM  131  H   UNL     1       0.361   8.646   5.836  1.00  0.00           H  
HETATM  132  H   UNL     1       1.722   9.451   5.020  1.00  0.00           H  
HETATM  133  H   UNL     1      -0.360  10.044   3.877  1.00  0.00           H  
HETATM  134  H   UNL     1       0.608   8.994   2.815  1.00  0.00           H  
HETATM  135  H   UNL     1      -2.397   9.333   2.723  1.00  0.00           H  
HETATM  136  H   UNL     1      -1.429   8.283   1.661  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.628   6.295   2.535  1.00  0.00           H  
HETATM  138  H   UNL     1      -3.596   7.346   3.596  1.00  0.00           H  
HETATM  139  H   UNL     1      -4.486   8.533   1.610  1.00  0.00           H  
HETATM  140  H   UNL     1      -3.518   7.483   0.548  1.00  0.00           H  
HETATM  141  H   UNL     1      -5.103   5.844   2.215  1.00  0.00           H  
HETATM  142  H   UNL     1      -6.744   4.527   0.531  1.00  0.00           H  
HETATM  143  H   UNL     1      -7.712   5.578   1.593  1.00  0.00           H  
HETATM  144  H   UNL     1      -8.602   6.765  -0.393  1.00  0.00           H  
HETATM  145  H   UNL     1      -7.634   5.715  -1.455  1.00  0.00           H  
HETATM  146  H   UNL     1     -10.653   5.911  -1.418  1.00  0.00           H  
HETATM  147  H   UNL     1      -9.685   4.860  -2.480  1.00  0.00           H  
HETATM  148  H   UNL     1     -10.745   2.860  -1.468  1.00  0.00           H  
HETATM  149  H   UNL     1     -11.714   3.911  -0.406  1.00  0.00           H  
HETATM  150  H   UNL     1     -12.750   4.967  -2.396  1.00  0.00           H  
HETATM  151  H   UNL     1     -11.782   3.917  -3.458  1.00  0.00           H  
HETATM  152  H   UNL     1     -12.842   1.917  -2.446  1.00  0.00           H  
HETATM  153  H   UNL     1     -13.810   2.967  -1.384  1.00  0.00           H  
HETATM  154  H   UNL     1     -14.846   4.024  -3.374  1.00  0.00           H  
HETATM  155  H   UNL     1     -13.878   2.973  -4.436  1.00  0.00           H  
HETATM  156  H   UNL     1     -16.898   3.031  -4.263  1.00  0.00           H  
HETATM  157  H   UNL     1     -15.930   1.981  -5.325  1.00  0.00           H  
HETATM  158  H   UNL     1     -18.101   0.924  -4.916  1.00  0.00           H  
HETATM  159  H   UNL     1     -16.832  -0.014  -4.093  1.00  0.00           H  
HETATM  160  H   UNL     1     -17.844   1.899  -2.278  1.00  0.00           H  
HETATM  161  H   UNL     1     -20.869  -1.341  -1.311  1.00  0.00           H  
HETATM  162  H   UNL     1     -21.472   0.961   2.240  1.00  0.00           H  
HETATM  163  H   UNL     1     -19.785   2.582   1.486  1.00  0.00           H  
HETATM  164  H   UNL     1     -18.626   2.255  -0.657  1.00  0.00           H  
HETATM  165  H   UNL     1     -23.012  -0.904   1.443  1.00  0.00           H  
HETATM  166  H   UNL     1     -23.056  -3.479   2.315  1.00  0.00           H  
HETATM  167  H   UNL     1     -24.070  -3.292   0.863  1.00  0.00           H  
HETATM  168  H   UNL     1     -24.824  -4.602   2.313  1.00  0.00           H  
HETATM  169  H   UNL     1     -26.247  -6.466   3.064  1.00  0.00           H  
HETATM  170  H   UNL     1     -25.712  -8.772   2.392  1.00  0.00           H  
HETATM  171  H   UNL     1     -23.756  -9.221   0.967  1.00  0.00           H  
HETATM  172  H   UNL     1     -21.297  -9.040  -1.703  1.00  0.00           H  
HETATM  173  H   UNL     1     -22.221  -6.022  -1.766  1.00  0.00           H  
CONECT    1    2   41                                                 
CONECT    2    3    3    4    5                                       
CONECT    2    1                                                      
CONECT    3    2    2                                                 
CONECT    4    2   42                                                 
CONECT    5   10    2    6    6                                       
CONECT    6    5    5    7   43                                       
CONECT    7    8    8    6   44                                       
CONECT    8    9    7    7   45                                       
CONECT    9   10   10    8   46                                       
CONECT   10   11    9    9    5                                       
CONECT   11   12   10                                                 
CONECT   12   13   11   47   48                                       
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   49                                            
CONECT   16   18   15   17   17                                       
CONECT   17   16   16   21   50                                       
CONECT   18   19   19   16   51                                       
CONECT   19   18   18   20   52                                       
CONECT   20   19   21   21   53                                       
CONECT   21   20   20   17   22                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   54                                            
CONECT   25   24   26   55   56                                       
CONECT   26   25   27   57   58                                       
CONECT   27   26   28                                                 
CONECT   28   29   27   59   60                                       
CONECT   29   30   28   61   62                                       
CONECT   30   31   29                                                 
CONECT   31   32   30   63   64                                       
CONECT   32   31   33   65   66                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   67   68                                       
CONECT   35   34   36   69   70                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   71                                            
CONECT   39   38   40   72   73                                       
CONECT   40   39   74   75   76                                       
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   40   77  125  126                                       
CONECT   77   76   78                                                 
CONECT   78   77   79  127  128                                       
CONECT   79   78   80  129  130                                       
CONECT   80   79   81                                                 
CONECT   81   80   82  131  132                                       
CONECT   82   81   83  133  134                                       
CONECT   83   82   84                                                 
CONECT   84   83   85  135  136                                       
CONECT   85   84   86  137  138                                       
CONECT   86   85   87  139  140                                       
CONECT   87   86   88  141                                            
CONECT   88   87   89   89   90                                       
CONECT   89   88   88                                                 
CONECT   90   88   91  142  143                                       
CONECT   91   90   92  144  145                                       
CONECT   92   91   93                                                 
CONECT   93   92   94  146  147                                       
CONECT   94   93   95  148  149                                       
CONECT   95   94   96  150  151                                       
CONECT   96   95   97  152  153                                       
CONECT   97   96   98  154  155                                       
CONECT   98   97   99                                                 
CONECT   99   98  100  156  157                                       
CONECT  100   99  101  158  159                                       
CONECT  101  100  102  160                                            
CONECT  102  101  103  104  104                                       
CONECT  103  102  105  109  109                                       
CONECT  104  102  102                                                 
CONECT  105  103  106  106  161                                       
CONECT  106  105  105  107  110                                       
CONECT  107  106  108  108  162                                       
CONECT  108  107  107  109  163                                       
CONECT  109  108  103  103  164                                       
CONECT  110  106  111  165                                            
CONECT  111  110  112  113  113                                       
CONECT  112  111  114  166  167                                       
CONECT  113  111  111                                                 
CONECT  114  112  115                                                 
CONECT  115  114  116  120  120                                       
CONECT  116  115  117  117  168                                       
CONECT  117  116  116  118  169                                       
CONECT  118  117  119  119  170                                       
CONECT  119  118  118  120  171                                       
CONECT  120  119  115  115  121                                       
CONECT  121  120  122  122  123                                       
CONECT  121  124                                                      
CONECT  122  121  121                                                 
CONECT  123  121  172                                                 
CONECT  124  121  173                                                 
CONECT  125   76                                                      
CONECT  126   76                                                      
CONECT  127   78                                                      
CONECT  128   78                                                      
CONECT  129   79                                                      
CONECT  130   79                                                      
CONECT  131   81                                                      
CONECT  132   81                                                      
CONECT  133   82                                                      
CONECT  134   82                                                      
CONECT  135   84                                                      
CONECT  136   84                                                      
CONECT  137   85                                                      
CONECT  138   85                                                      
CONECT  139   86                                                      
CONECT  140   86                                                      
CONECT  141   87                                                      
CONECT  142   90                                                      
CONECT  143   90                                                      
CONECT  144   91                                                      
CONECT  145   91                                                      
CONECT  146   93                                                      
CONECT  147   93                                                      
CONECT  148   94                                                      
CONECT  149   94                                                      
CONECT  150   95                                                      
CONECT  151   95                                                      
CONECT  152   96                                                      
CONECT  153   96                                                      
CONECT  154   97                                                      
CONECT  155   97                                                      
CONECT  156   99                                                      
CONECT  157   99                                                      
CONECT  158  100                                                      
CONECT  159  100                                                      
CONECT  160  101                                                      
CONECT  161  105                                                      
CONECT  162  107                                                      
CONECT  163  108                                                      
CONECT  164  109                                                      
CONECT  165  110                                                      
CONECT  166  112                                                      
CONECT  167  112                                                      
CONECT  168  116                                                      
CONECT  169  117                                                      
CONECT  170  118                                                      
CONECT  171  119                                                      
CONECT  172  123                                                      
CONECT  173  124                                                      
MASTER        0    0    0    0    0    0    0    0  173    0  173    0
END
