COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.626  -3.103  -3.190  1.00  0.00           O  
HETATM    2  P   UNL     1      -0.120  -2.730  -1.850  1.00  0.00           P  
HETATM    3  O   UNL     1       0.832  -1.437  -1.977  1.00  0.00           O  
HETATM    4  O   UNL     1       0.720  -3.957  -1.233  1.00  0.00           O  
HETATM    5  O   UNL     1      -1.287  -4.235   1.254  1.00  0.00           O  
HETATM    6  O   UNL     1      -1.362  -2.389  -0.883  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.440  -3.298  -0.652  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.515  -3.632   0.839  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.754  -2.653  -1.097  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.973  -1.455  -0.350  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.909  -3.626  -0.850  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.136  -3.024  -1.265  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.984  -3.961   0.641  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.062  -4.869   0.873  1.00  0.00           O  
HETATM   15  P   UNL     1      -7.304  -4.529   1.839  1.00  0.00           P  
HETATM   16  O   UNL     1      -8.255  -5.821   1.966  1.00  0.00           O  
HETATM   17  O   UNL     1      -6.797  -4.156   3.179  1.00  0.00           O  
HETATM   18  O   UNL     1      -8.144  -3.302   1.223  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.669  -4.605   1.086  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.739  -4.918   2.479  1.00  0.00           O  
HETATM   21  C   UNL     1       1.963  -1.386  -2.848  1.00  0.00           C  
HETATM   22  C   UNL     1       2.642  -0.021  -2.723  1.00  0.00           C  
HETATM   23  C   UNL     1       1.618   1.084  -2.988  1.00  0.00           C  
HETATM   24  O   UNL     1       3.181   0.131  -1.383  1.00  0.00           O  
HETATM   25  C   UNL     1       4.441  -0.286  -1.183  1.00  0.00           C  
HETATM   26  O   UNL     1       5.073  -0.762  -2.096  1.00  0.00           O  
HETATM   27  O   UNL     1       0.484   0.917  -2.097  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.511   1.812  -2.203  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.437   2.705  -3.013  1.00  0.00           O  
HETATM   30  C   UNL     1       5.068  -0.161   0.182  1.00  0.00           C  
HETATM   31  C   UNL     1       6.497  -0.705   0.139  1.00  0.00           C  
HETATM   32  C   UNL     1       7.134  -0.577   1.524  1.00  0.00           C  
HETATM   33  C   UNL     1       8.542  -1.114   1.482  1.00  0.00           C  
HETATM   34  C   UNL     1       9.541  -0.362   1.872  1.00  0.00           C  
HETATM   35  C   UNL     1      10.949  -0.898   1.829  1.00  0.00           C  
HETATM   36  C   UNL     1      11.817   0.034   1.023  1.00  0.00           C  
HETATM   37  C   UNL     1      12.911   0.527   1.548  1.00  0.00           C  
HETATM   38  C   UNL     1      13.779   1.459   0.743  1.00  0.00           C  
HETATM   39  C   UNL     1      13.981   2.743   1.505  1.00  0.00           C  
HETATM   40  C   UNL     1      15.191   3.201   1.709  1.00  0.00           C  
HETATM   41  C   UNL     1      16.369   2.540   1.041  1.00  0.00           C  
HETATM   42  C   UNL     1      17.165   3.576   0.289  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.721   1.703  -1.310  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.697   2.836  -1.632  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.924   2.725  -0.726  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.900   3.859  -1.049  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.128   3.748  -0.143  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.104   4.882  -0.465  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.332   4.771   0.441  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.307   5.904   0.119  1.00  0.00           C  
HETATM   51  C   UNL     1     -10.535   5.793   1.025  1.00  0.00           C  
HETATM   52  C   UNL     1     -11.511   6.927   0.703  1.00  0.00           C  
HETATM   53  C   UNL     1      18.445   3.719   0.528  1.00  0.00           C  
HETATM   54  C   UNL     1      19.121   2.848   1.556  1.00  0.00           C  
HETATM   55  C   UNL     1     -12.739   6.816   1.609  1.00  0.00           C  
HETATM   56  C   UNL     1     -13.714   7.950   1.286  1.00  0.00           C  
HETATM   57  C   UNL     1     -14.942   7.839   2.192  1.00  0.00           C  
HETATM   58  H   UNL     1       1.083  -3.782  -0.354  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.263  -4.473   2.191  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.273  -4.213  -1.222  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.682  -2.718   1.408  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.701  -2.415  -2.159  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.791  -0.992  -0.581  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.742  -4.541  -1.419  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.160  -2.785  -2.202  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.151  -3.046   1.211  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.026  -5.688   2.535  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.507  -3.477   0.343  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.502  -5.520   0.517  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.938  -5.330   2.830  1.00  0.00           H  
HETATM   71  H   UNL     1       2.670  -2.170  -2.572  1.00  0.00           H  
HETATM   72  H   UNL     1       1.637  -1.537  -3.877  1.00  0.00           H  
HETATM   73  H   UNL     1       3.451   0.051  -3.450  1.00  0.00           H  
HETATM   74  H   UNL     1       2.078   2.056  -2.813  1.00  0.00           H  
HETATM   75  H   UNL     1       1.278   1.024  -4.023  1.00  0.00           H  
HETATM   76  H   UNL     1       5.088   0.888   0.478  1.00  0.00           H  
HETATM   77  H   UNL     1       4.484  -0.731   0.904  1.00  0.00           H  
HETATM   78  H   UNL     1       6.478  -1.754  -0.157  1.00  0.00           H  
HETATM   79  H   UNL     1       7.082  -0.135  -0.583  1.00  0.00           H  
HETATM   80  H   UNL     1       7.153   0.471   1.820  1.00  0.00           H  
HETATM   81  H   UNL     1       6.550  -1.148   2.246  1.00  0.00           H  
HETATM   82  H   UNL     1       8.727  -2.118   1.129  1.00  0.00           H  
HETATM   83  H   UNL     1       9.356   0.642   2.224  1.00  0.00           H  
HETATM   84  H   UNL     1      11.340  -0.973   2.844  1.00  0.00           H  
HETATM   85  H   UNL     1      10.948  -1.885   1.366  1.00  0.00           H  
HETATM   86  H   UNL     1      11.537   0.295   0.014  1.00  0.00           H  
HETATM   87  H   UNL     1      13.191   0.266   2.558  1.00  0.00           H  
HETATM   88  H   UNL     1      14.746   0.989   0.561  1.00  0.00           H  
HETATM   89  H   UNL     1      13.295   1.674  -0.210  1.00  0.00           H  
HETATM   90  H   UNL     1      13.127   3.286   1.883  1.00  0.00           H  
HETATM   91  H   UNL     1      15.344   4.052   2.356  1.00  0.00           H  
HETATM   92  H   UNL     1      17.001   2.074   1.796  1.00  0.00           H  
HETATM   93  H   UNL     1      16.013   1.780   0.345  1.00  0.00           H  
HETATM   94  H   UNL     1      16.680   4.200  -0.448  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.210   0.743  -1.477  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.411   1.776  -0.268  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.207   3.796  -1.465  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.006   2.764  -2.675  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.414   1.766  -0.894  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.614   2.798   0.316  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.410   4.818  -0.881  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.210   3.786  -2.091  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.617   2.789  -0.310  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.818   3.821   0.900  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.614   5.841  -0.297  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.413   4.809  -1.507  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.821   3.811   0.274  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.022   4.844   1.484  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.818   6.864   0.286  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.617   5.832  -0.924  1.00  0.00           H  
HETATM  111  H   UNL     1     -11.025   4.834   0.858  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.225   5.866   2.067  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.021   7.886   0.870  1.00  0.00           H  
HETATM  114  H   UNL     1     -11.821   6.854  -0.340  1.00  0.00           H  
HETATM  115  H   UNL     1      19.016   4.461  -0.011  1.00  0.00           H  
HETATM  116  H   UNL     1      20.178   3.111   1.616  1.00  0.00           H  
HETATM  117  H   UNL     1      18.653   3.002   2.527  1.00  0.00           H  
HETATM  118  H   UNL     1      19.023   1.802   1.266  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.228   5.857   1.441  1.00  0.00           H  
HETATM  120  H   UNL     1     -12.429   6.889   2.651  1.00  0.00           H  
HETATM  121  H   UNL     1     -13.225   8.909   1.454  1.00  0.00           H  
HETATM  122  H   UNL     1     -14.024   7.877   0.244  1.00  0.00           H  
HETATM  123  H   UNL     1     -14.632   7.912   3.235  1.00  0.00           H  
HETATM  124  H   UNL     1     -15.637   8.646   1.963  1.00  0.00           H  
HETATM  125  H   UNL     1     -15.432   6.879   2.025  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    6    3                                       
CONECT    2    4                                                      
CONECT    3    2   21                                                 
CONECT    4    2   58                                                 
CONECT    5    8   59                                                 
CONECT    6    7    2                                                 
CONECT    7    9    6    8   60                                       
CONECT    8    7   19    5   61                                       
CONECT    9   11    7   10   62                                       
CONECT   10    9   63                                                 
CONECT   11   12    9   13   64                                       
CONECT   12   11   65                                                 
CONECT   13   11   14   19   66                                       
CONECT   14   13   15                                                 
CONECT   15   14   17   17   16                                       
CONECT   15   18                                                      
CONECT   16   15   67                                                 
CONECT   17   15   15                                                 
CONECT   18   15   68                                                 
CONECT   19   13    8   20   69                                       
CONECT   20   19   70                                                 
CONECT   21    3   22   71   72                                       
CONECT   22   21   23   24   73                                       
CONECT   23   22   27   74   75                                       
CONECT   24   22   25                                                 
CONECT   25   26   26   24   30                                       
CONECT   26   25   25                                                 
CONECT   27   23   28                                                 
CONECT   28   27   29   29   43                                       
CONECT   29   28   28                                                 
CONECT   30   25   31   76   77                                       
CONECT   31   30   32   78   79                                       
CONECT   32   31   33   80   81                                       
CONECT   33   34   34   32   82                                       
CONECT   34   35   33   33   83                                       
CONECT   35   34   36   84   85                                       
CONECT   36   35   37   37   86                                       
CONECT   37   36   36   38   87                                       
CONECT   38   37   39   88   89                                       
CONECT   39   40   40   38   90                                       
CONECT   40   41   39   39   91                                       
CONECT   41   42   40   92   93                                       
CONECT   42   53   53   41   94                                       
CONECT   43   28   44   95   96                                       
CONECT   44   43   45   97   98                                       
CONECT   45   44   46   99  100                                       
CONECT   46   45   47  101  102                                       
CONECT   47   46   48  103  104                                       
CONECT   48   47   49  105  106                                       
CONECT   49   48   50  107  108                                       
CONECT   50   49   51  109  110                                       
CONECT   51   50   52  111  112                                       
CONECT   52   51   55  113  114                                       
CONECT   53   54   42   42  115                                       
CONECT   54   53  116  117  118                                       
CONECT   55   52   56  119  120                                       
CONECT   56   55   57  121  122                                       
CONECT   57   56  123  124  125                                       
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   16                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   50                                                      
CONECT  110   50                                                      
CONECT  111   51                                                      
CONECT  112   51                                                      
CONECT  113   52                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   54                                                      
CONECT  117   54                                                      
CONECT  118   54                                                      
CONECT  119   55                                                      
CONECT  120   55                                                      
CONECT  121   56                                                      
CONECT  122   56                                                      
CONECT  123   57                                                      
CONECT  124   57                                                      
CONECT  125   57                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
