COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -5.294   0.854  -0.262  1.00  0.00           P  
HETATM    2  O   UNL     1      -7.011  -5.413   3.066  1.00  0.00           O  
HETATM    3  O   UNL     1      -6.948  -4.095  -0.933  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.759  -4.731   0.106  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.826  -0.679  -0.055  1.00  0.00           O  
HETATM    6  O   UNL     1      -4.375   1.377  -1.485  1.00  0.00           O  
HETATM    7  O   UNL     1      -4.658   1.597   1.026  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.772   1.050  -0.440  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.963  -2.710  -0.483  1.00  0.00           O  
HETATM   10  O   UNL     1       0.530  -3.202   0.780  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.658  -1.582  -2.139  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.048  -2.629  -8.115  1.00  0.00           O  
HETATM   13  N   UNL     1     -10.414 -12.897   4.161  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.343  -3.800  -6.313  1.00  0.00           N  
HETATM   15  C   UNL     1     -11.398 -12.601   3.622  1.00  0.00           C  
HETATM   16  C   UNL     1     -12.606 -12.246   2.958  1.00  0.00           C  
HETATM   17  C   UNL     1     -13.004 -10.984   2.709  1.00  0.00           C  
HETATM   18  C   UNL     1     -12.279  -9.776   3.079  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.686  -8.522   2.826  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.904  -7.359   3.190  1.00  0.00           C  
HETATM   21  C   UNL     1     -12.225  -6.067   2.979  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.306  -5.017   3.418  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.966  -5.089   3.307  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.937  -4.061   3.730  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.663  -4.161   2.847  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.904  -3.939   1.322  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.634  -4.170   0.456  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.492  -3.186   0.782  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.237  -3.404  -0.076  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.136  -2.427   0.305  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.447  -0.940   0.120  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.574  -0.522  -1.073  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.350  -1.463  -0.888  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.350  -1.017   0.207  1.00  0.00           C  
HETATM   35  C   UNL     1       0.888  -1.921   0.263  1.00  0.00           C  
HETATM   36  C   UNL     1       1.511  -2.109  -1.131  1.00  0.00           C  
HETATM   37  C   UNL     1       0.412  -2.532  -2.128  1.00  0.00           C  
HETATM   38  C   UNL     1       0.913  -2.673  -3.561  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.198  -3.064  -4.489  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.585  -2.313  -5.532  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.658  -2.664  -6.478  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.173  -3.733  -7.329  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.034  -1.934  -7.528  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.215  -4.693  -7.727  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.850  -5.508  -6.550  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.579  -4.641  -5.522  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.704  -5.721  -8.771  1.00  0.00           C  
HETATM   48  C   UNL     1       2.247  -0.834  -1.564  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.244   0.977  -1.035  1.00  0.00           C  
HETATM   50  C   UNL     1      -3.285  -0.794  -2.422  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.620  -4.990  -0.703  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.487  -2.528   1.123  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.600  -4.301   5.209  1.00  0.00           C  
HETATM   54  C   UNL     1     -11.972  -3.810   4.025  1.00  0.00           C  
HETATM   55  C   UNL     1     -13.457  -5.553   2.282  1.00  0.00           C  
HETATM   56  C   UNL     1     -14.271 -10.719   1.941  1.00  0.00           C  
HETATM   57  C   UNL     1      -7.942  -4.393  -6.246  1.00  0.00           C  
HETATM   58  C   UNL     1      -8.881  -3.427  -6.964  1.00  0.00           C  
HETATM   59  C   UNL     1      -9.620  -2.508  -5.972  1.00  0.00           C  
HETATM   60  C   UNL     1      -8.688  -1.689  -5.047  1.00  0.00           C  
HETATM   61  C   UNL     1      -9.467  -0.851  -4.020  1.00  0.00           C  
HETATM   62  C   UNL     1     -10.966  -0.891  -2.210  1.00  0.00           C  
HETATM   63  C   UNL     1      -6.956  -0.027  -4.946  1.00  0.00           C  
HETATM   64  C   UNL     1      -8.640   0.095  -6.655  1.00  0.00           C  
HETATM   65  N   UNL     1      -6.650  -3.900  -6.142  1.00  0.00           N  
HETATM   66  N   UNL     1      -7.829  -0.797  -5.830  1.00  0.00           N  
HETATM   67  O   UNL     1      -8.314  -5.489  -5.832  1.00  0.00           O  
HETATM   68  O   UNL     1      -9.826  -4.181  -7.709  1.00  0.00           O  
HETATM   69  O   UNL     1     -10.467  -3.320  -5.149  1.00  0.00           O  
HETATM   70  O   UNL     1     -10.273  -1.666  -3.179  1.00  0.00           O  
HETATM   71  H   UNL     1      -6.125  -5.331   2.682  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.273  -3.530  -1.338  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.526   2.278  -1.841  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.877   2.539   1.187  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.363  -3.390   0.453  1.00  0.00           H  
HETATM   76  H   UNL     1     -13.223 -13.075   2.621  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.316  -9.946   3.559  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.628  -8.364   2.313  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.950  -7.578   3.670  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.547  -5.982   2.843  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.341  -3.046   3.665  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.956  -3.397   3.197  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.674  -4.648   0.992  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.264  -5.184   0.637  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.867  -2.166   0.636  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.195  -3.282   1.832  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.481  -3.277  -1.136  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.870  -2.614   1.352  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.134  -0.399   1.021  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.829  -1.020   1.192  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.008   0.003  -0.004  1.00  0.00           H  
HETATM   92  H   UNL     1       1.624  -1.498   0.956  1.00  0.00           H  
HETATM   93  H   UNL     1       2.252  -2.917  -1.086  1.00  0.00           H  
HETATM   94  H   UNL     1       0.007  -3.510  -1.840  1.00  0.00           H  
HETATM   95  H   UNL     1       1.692  -3.442  -3.596  1.00  0.00           H  
HETATM   96  H   UNL     1       1.378  -1.730  -3.869  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.674  -4.020  -4.287  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.073  -1.374  -5.728  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.757  -1.000  -7.995  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.061  -4.175  -8.233  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.078  -6.092  -6.032  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.564  -6.235  -6.957  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.870  -3.930  -5.084  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.976  -5.244  -4.700  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.720  -6.730  -8.344  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.674  -5.502  -9.074  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.321  -5.733  -9.677  1.00  0.00           H  
HETATM  108  H   UNL     1       1.686   0.055  -1.260  1.00  0.00           H  
HETATM  109  H   UNL     1       3.239  -0.789  -1.106  1.00  0.00           H  
HETATM  110  H   UNL     1       2.368  -0.810  -2.651  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.154   1.574  -1.144  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.769   1.242  -0.086  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.560   1.240  -1.847  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.926  -1.728  -2.864  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.366  -0.874  -2.279  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.090   0.018  -3.130  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.801  -5.876  -1.317  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.747  -5.149  -0.065  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.442  -4.130  -1.353  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.741  -2.340   0.076  1.00  0.00           H  
HETATM  121  H   UNL     1      -9.413  -2.413   1.699  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.795  -1.747   1.453  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.553  -4.602   5.332  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.745  -3.390   5.799  1.00  0.00           H  
HETATM  125  H   UNL     1      -9.228  -5.088   5.642  1.00  0.00           H  
HETATM  126  H   UNL     1     -12.642  -3.332   3.301  1.00  0.00           H  
HETATM  127  H   UNL     1     -11.245  -3.056   4.345  1.00  0.00           H  
HETATM  128  H   UNL     1     -12.559  -4.094   4.905  1.00  0.00           H  
HETATM  129  H   UNL     1     -13.182  -4.919   1.432  1.00  0.00           H  
HETATM  130  H   UNL     1     -14.099  -6.345   1.891  1.00  0.00           H  
HETATM  131  H   UNL     1     -14.066  -4.957   2.970  1.00  0.00           H  
HETATM  132  H   UNL     1     -14.794 -11.644   1.673  1.00  0.00           H  
HETATM  133  H   UNL     1     -14.055 -10.183   1.010  1.00  0.00           H  
HETATM  134  H   UNL     1     -14.962 -10.113   2.538  1.00  0.00           H  
HETATM  135  H   UNL     1      -8.287  -2.837  -7.671  1.00  0.00           H  
HETATM  136  H   UNL     1     -10.281  -1.833  -6.526  1.00  0.00           H  
HETATM  137  H   UNL     1      -8.047  -2.372  -4.475  1.00  0.00           H  
HETATM  138  H   UNL     1     -10.130  -0.142  -4.527  1.00  0.00           H  
HETATM  139  H   UNL     1      -8.792  -0.262  -3.388  1.00  0.00           H  
HETATM  140  H   UNL     1     -11.612  -0.168  -2.715  1.00  0.00           H  
HETATM  141  H   UNL     1     -10.245  -0.370  -1.575  1.00  0.00           H  
HETATM  142  H   UNL     1     -11.578  -1.555  -1.595  1.00  0.00           H  
HETATM  143  H   UNL     1      -6.759  -0.589  -4.029  1.00  0.00           H  
HETATM  144  H   UNL     1      -7.429   0.923  -4.681  1.00  0.00           H  
HETATM  145  H   UNL     1      -6.005   0.182  -5.442  1.00  0.00           H  
HETATM  146  H   UNL     1      -8.031   0.522  -7.457  1.00  0.00           H  
HETATM  147  H   UNL     1      -9.044   0.909  -6.048  1.00  0.00           H  
HETATM  148  H   UNL     1      -9.473  -0.456  -7.101  1.00  0.00           H  
HETATM  149  H   UNL     1      -6.427  -2.997  -6.553  1.00  0.00           H  
HETATM  150  H   UNL     1     -10.693  -4.033  -7.296  1.00  0.00           H  
HETATM  151  H   UNL     1     -10.377  -4.224  -5.481  1.00  0.00           H  
CONECT    1    5    6    7    8                                       
CONECT    1    8                                                      
CONECT    2   25   71                                                 
CONECT    3   27   72                                                 
CONECT    4   29   51                                                 
CONECT    5    1   31                                                 
CONECT    6    1   73                                                 
CONECT    7    1   74                                                 
CONECT    8    1    1                                                 
CONECT    9   30   33                                                 
CONECT   10   35   75                                                 
CONECT   11   33   37                                                 
CONECT   12   42   43                                                 
CONECT   13   15   15   15                                            
CONECT   14   41   42   42                                            
CONECT   15   13   13   13   16                                       
CONECT   16   15   17   17   76                                       
CONECT   17   16   16   18   56                                       
CONECT   18   17   19   19   77                                       
CONECT   19   18   18   20   78                                       
CONECT   20   19   21   21   79                                       
CONECT   21   20   20   22   55                                       
CONECT   22   21   23   23   54                                       
CONECT   23   22   22   24   80                                       
CONECT   24   23   25   53   81                                       
CONECT   25    2   24   26   82                                       
CONECT   26   25   27   52   83                                       
CONECT   27    3   26   28   84                                       
CONECT   28   27   29   85   86                                       
CONECT   29    4   28   30   87                                       
CONECT   30    9   29   31   88                                       
CONECT   31    5   30   32   89                                       
CONECT   32   31   33   49   50                                       
CONECT   33    9   11   32   34                                       
CONECT   34   33   35   90   91                                       
CONECT   35   10   34   36   92                                       
CONECT   36   35   37   48   93                                       
CONECT   37   11   36   38   94                                       
CONECT   38   37   39   95   96                                       
CONECT   39   38   40   40   97                                       
CONECT   40   39   39   41   98                                       
CONECT   41   14   40   43   43                                       
CONECT   42   12   14   14   44                                       
CONECT   43   12   41   41   99                                       
CONECT   44   42   45   47  100                                       
CONECT   45   44   46  101  102                                       
CONECT   46   45   65  103  104                                       
CONECT   47   44  105  106  107                                       
CONECT   48   36  108  109  110                                       
CONECT   49   32  111  112  113                                       
CONECT   50   32  114  115  116                                       
CONECT   51    4  117  118  119                                       
CONECT   52   26  120  121  122                                       
CONECT   53   24  123  124  125                                       
CONECT   54   22  126  127  128                                       
CONECT   55   21  129  130  131                                       
CONECT   56   17  132  133  134                                       
CONECT   57   58   65   67   67                                       
CONECT   58   57   59   68  135                                       
CONECT   59   58   60   69  136                                       
CONECT   60   59   61   66  137                                       
CONECT   61   60   70  138  139                                       
CONECT   62   70  140  141  142                                       
CONECT   63   66  143  144  145                                       
CONECT   64   66  146  147  148                                       
CONECT   65   46   57  149                                            
CONECT   66   60   63   64                                            
CONECT   67   57   57                                                 
CONECT   68   58  150                                                 
CONECT   69   59  151                                                 
CONECT   70   61   62                                                 
CONECT   71    2                                                      
CONECT   72    3                                                      
CONECT   73    6                                                      
CONECT   74    7                                                      
CONECT   75   10                                                      
CONECT   76   16                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   47                                                      
CONECT  107   47                                                      
CONECT  108   48                                                      
CONECT  109   48                                                      
CONECT  110   48                                                      
CONECT  111   49                                                      
CONECT  112   49                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   50                                                      
CONECT  116   50                                                      
CONECT  117   51                                                      
CONECT  118   51                                                      
CONECT  119   51                                                      
CONECT  120   52                                                      
CONECT  121   52                                                      
CONECT  122   52                                                      
CONECT  123   53                                                      
CONECT  124   53                                                      
CONECT  125   53                                                      
CONECT  126   54                                                      
CONECT  127   54                                                      
CONECT  128   54                                                      
CONECT  129   55                                                      
CONECT  130   55                                                      
CONECT  131   55                                                      
CONECT  132   56                                                      
CONECT  133   56                                                      
CONECT  134   56                                                      
CONECT  135   58                                                      
CONECT  136   59                                                      
CONECT  137   60                                                      
CONECT  138   61                                                      
CONECT  139   61                                                      
CONECT  140   62                                                      
CONECT  141   62                                                      
CONECT  142   62                                                      
CONECT  143   63                                                      
CONECT  144   63                                                      
CONECT  145   63                                                      
CONECT  146   64                                                      
CONECT  147   64                                                      
CONECT  148   64                                                      
CONECT  149   65                                                      
CONECT  150   68                                                      
CONECT  151   69                                                      
MASTER        0    0    0    0    0    0    0    0  151    0  151    0
END
