COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CE   UNL     1      41.629   9.301   4.205  1.00  0.00          Ce  
HETATM    2  O   UNL     1      35.939   3.739   1.429  1.00  0.00           O  
HETATM    3  O   UNL     1      40.402   4.371   3.186  1.00  0.00           O  
HETATM    4  O   UNL     1      39.340   5.962  -1.390  1.00  0.00           O  
HETATM    5  O   UNL     1      41.028  11.108  -0.295  1.00  0.00           O  
HETATM    6  O   UNL     1      35.961  10.177  -2.218  1.00  0.00           O  
HETATM    7  O   UNL     1      32.546   8.117   0.695  1.00  0.00           O  
HETATM    8  O   UNL     1      33.761   6.469   5.825  1.00  0.00           O  
HETATM    9  O   UNL     1      38.301   7.124   7.542  1.00  0.00           O  
HETATM   10  O   UNL     1      39.208  13.526   3.574  1.00  0.00           O  
HETATM   11  O   UNL     1      34.118  12.664   1.713  1.00  0.00           O  
HETATM   12  O   UNL     1      35.325  11.013   6.807  1.00  0.00           O  
HETATM   13  O   UNL     1      38.466   7.954   3.502  1.00  0.00           O  
HETATM   14  O   UNL     1      36.124   7.683   2.618  1.00  0.00           O  
HETATM   15  O   UNL     1      37.909   8.772   1.153  1.00  0.00           O  
HETATM   16  O   UNL     1      37.015  10.031   3.175  1.00  0.00           O  
HETATM   17  O   UNL     1      40.804   9.436   1.922  1.00  0.00           O  
HETATM   18  O   UNL     1      39.717  10.899   4.137  1.00  0.00           O  
HETATM   19  O   UNL     1      40.031   8.458   5.865  1.00  0.00           O  
HETATM   20  O   UNL     1      41.119   6.952   3.532  1.00  0.00           O  
HETATM   21  O   UNL     1      37.128   5.992   0.404  1.00  0.00           O  
HETATM   22  O   UNL     1      39.516   6.380   1.385  1.00  0.00           O  
HETATM   23  O   UNL     1      37.755   5.267   2.801  1.00  0.00           O  
HETATM   24  O   UNL     1      39.013   6.007   5.051  1.00  0.00           O  
HETATM   25  O   UNL     1      35.142   5.456   3.571  1.00  0.00           O  
HETATM   26  O   UNL     1      34.599   6.238   1.082  1.00  0.00           O  
HETATM   27  O   UNL     1      37.414   8.029  -1.311  1.00  0.00           O  
HETATM   28  O   UNL     1      39.969   8.393  -0.449  1.00  0.00           O  
HETATM   29  O   UNL     1      36.575   6.955   5.400  1.00  0.00           O  
HETATM   30  O   UNL     1      33.563   7.559   3.216  1.00  0.00           O  
HETATM   31  O   UNL     1      35.213   8.510  -0.054  1.00  0.00           O  
HETATM   32  O   UNL     1      38.297  10.498  -0.747  1.00  0.00           O  
HETATM   33  O   UNL     1      37.345   9.267   5.935  1.00  0.00           O  
HETATM   34  O   UNL     1      34.947   8.923   5.040  1.00  0.00           O  
HETATM   35  O   UNL     1      34.258   9.814   2.088  1.00  0.00           O  
HETATM   36  O   UNL     1      36.020  10.945   0.514  1.00  0.00           O  
HETATM   37  O   UNL     1      38.962  11.531   1.596  1.00  0.00           O  
HETATM   38  O   UNL     1      37.384  11.803   5.013  1.00  0.00           O  
HETATM   39  O   UNL     1      34.909  11.389   4.077  1.00  0.00           O  
HETATM   40  O   UNL     1      36.807  12.551   2.555  1.00  0.00           O  
HETATM   41  P   UNL     1      37.384   8.610   2.642  1.00  0.00           P  
HETATM   42  P   UNL     1      45.838   9.057   5.992  1.00  0.00           P  
HETATM   43  W   UNL     1      36.162   5.362   1.895  1.00  0.00           W  
HETATM   44  W   UNL     1      39.655   5.949   3.213  1.00  0.00           W  
HETATM   45  W   UNL     1      38.699   6.982  -0.241  1.00  0.00           W  
HETATM   46  W   UNL     1      39.864  10.127   0.546  1.00  0.00           W  
HETATM   47  W   UNL     1      36.629   9.652  -0.754  1.00  0.00           W  
HETATM   48  W   UNL     1      34.067   8.042   1.416  1.00  0.00           W  
HETATM   49  W   UNL     1      34.878   7.038   4.606  1.00  0.00           W  
HETATM   50  W   UNL     1      38.389   7.616   5.891  1.00  0.00           W  
HETATM   51  W   UNL     1      38.504  11.927   3.388  1.00  0.00           W  
HETATM   52  W   UNL     1      35.259  11.493   2.157  1.00  0.00           W  
HETATM   53  W   UNL     1      36.033  10.469   5.330  1.00  0.00           W  
HETATM   54  O   UNL     1      49.147  12.992   5.087  1.00  0.00           O  
HETATM   55  O   UNL     1      44.678  13.384   3.286  1.00  0.00           O  
HETATM   56  O   UNL     1      47.819  10.082   1.298  1.00  0.00           O  
HETATM   57  O   UNL     1      44.340   5.874   2.018  1.00  0.00           O  
HETATM   58  O   UNL     1      49.435   5.671   4.066  1.00  0.00           O  
HETATM   59  O   UNL     1      50.653   8.449   7.962  1.00  0.00           O  
HETATM   60  O   UNL     1      47.054  12.001  10.197  1.00  0.00           O  
HETATM   61  O   UNL     1      42.545  12.349   8.310  1.00  0.00           O  
HETATM   62  O   UNL     1      42.411   5.011   6.466  1.00  0.00           O  
HETATM   63  O   UNL     1      47.465   4.746   8.584  1.00  0.00           O  
HETATM   64  O   UNL     1      43.910   8.289  10.790  1.00  0.00           O  
HETATM   65  O   UNL     1      44.731  10.060   5.661  1.00  0.00           O  
HETATM   66  O   UNL     1      47.034   9.817   6.652  1.00  0.00           O  
HETATM   67  O   UNL     1      46.356   8.372   4.659  1.00  0.00           O  
HETATM   68  O   UNL     1      45.318   7.927   6.934  1.00  0.00           O  
HETATM   69  O   UNL     1      43.621   8.252   3.283  1.00  0.00           O  
HETATM   70  O   UNL     1      42.524   7.680   5.877  1.00  0.00           O  
HETATM   71  O   UNL     1      41.969  10.598   6.261  1.00  0.00           O  
HETATM   72  O   UNL     1      43.145  11.184   3.588  1.00  0.00           O  
HETATM   73  O   UNL     1      48.246  10.601   4.072  1.00  0.00           O  
HETATM   74  O   UNL     1      45.813  10.778   3.145  1.00  0.00           O  
HETATM   75  O   UNL     1      46.513  12.226   5.092  1.00  0.00           O  
HETATM   76  O   UNL     1      43.967  12.486   5.884  1.00  0.00           O  
HETATM   77  O   UNL     1      47.826  12.169   7.480  1.00  0.00           O  
HETATM   78  O   UNL     1      49.540  10.463   6.354  1.00  0.00           O  
HETATM   79  O   UNL     1      48.499   8.093   3.174  1.00  0.00           O  
HETATM   80  O   UNL     1      46.034   8.248   2.040  1.00  0.00           O  
HETATM   81  O   UNL     1      45.181  11.576   8.040  1.00  0.00           O  
HETATM   82  O   UNL     1      48.515   9.997   8.820  1.00  0.00           O  
HETATM   83  O   UNL     1      49.112   7.978   5.676  1.00  0.00           O  
HETATM   84  O   UNL     1      46.750   6.086   3.489  1.00  0.00           O  
HETATM   85  O   UNL     1      43.575   9.699   8.385  1.00  0.00           O  
HETATM   86  O   UNL     1      45.955   9.514   9.388  1.00  0.00           O  
HETATM   87  O   UNL     1      48.025   7.527   8.092  1.00  0.00           O  
HETATM   88  O   UNL     1      47.420   6.004   6.046  1.00  0.00           O  
HETATM   89  O   UNL     1      44.466   6.074   4.843  1.00  0.00           O  
HETATM   90  O   UNL     1      43.339   7.017   8.318  1.00  0.00           O  
HETATM   91  O   UNL     1      45.812   6.873   9.332  1.00  0.00           O  
HETATM   92  O   UNL     1      45.063   5.357   7.241  1.00  0.00           O  
HETATM   93  W   UNL     1      48.189  11.685   5.613  1.00  0.00           W  
HETATM   94  W   UNL     1      44.695  11.886   4.182  1.00  0.00           W  
HETATM   95  W   UNL     1      47.233   9.545   2.758  1.00  0.00           W  
HETATM   96  W   UNL     1      44.938   7.022   3.178  1.00  0.00           W  
HETATM   97  W   UNL     1      48.197   6.754   4.467  1.00  0.00           W  
HETATM   98  W   UNL     1      49.141   8.893   7.366  1.00  0.00           W  
HETATM   99  W   UNL     1      46.863  11.086   8.719  1.00  0.00           W  
HETATM  100  W   UNL     1      43.376  11.275   7.247  1.00  0.00           W  
HETATM  101  W   UNL     1      43.532   6.365   6.464  1.00  0.00           W  
HETATM  102  W   UNL     1      46.746   6.073   7.815  1.00  0.00           W  
HETATM  103  W   UNL     1      44.515   8.276   9.173  1.00  0.00           W  
HETATM  104  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  105  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1   69   17   18   70                                       
CONECT    1   19   71   20   72                                       
CONECT    2   43                                                      
CONECT    3   44                                                      
CONECT    4   45                                                      
CONECT    5   46                                                      
CONECT    6   47                                                      
CONECT    7   48                                                      
CONECT    8   49                                                      
CONECT    9   50                                                      
CONECT   10   51                                                      
CONECT   11   52                                                      
CONECT   12   53                                                      
CONECT   13   41   44   50                                            
CONECT   14   41   43   48   49                                       
CONECT   15   41   45   46   47                                       
CONECT   16   41   51   52   53                                       
CONECT   17   46    1                                                 
CONECT   18   51    1                                                 
CONECT   19   50    1                                                 
CONECT   20   44    1                                                 
CONECT   21   43   45                                                 
CONECT   22   44   45                                                 
CONECT   23   43   44                                                 
CONECT   24   44   50                                                 
CONECT   25   43   49                                                 
CONECT   26   43   48                                                 
CONECT   27   45   47                                                 
CONECT   28   45   46                                                 
CONECT   29   49   50                                                 
CONECT   30   48   49                                                 
CONECT   31   47   48                                                 
CONECT   32   46   47                                                 
CONECT   33   50   53                                                 
CONECT   34   49   53                                                 
CONECT   35   48   52                                                 
CONECT   36   47   52                                                 
CONECT   37   46   51                                                 
CONECT   38   51   53                                                 
CONECT   39   52   53                                                 
CONECT   40   51   52                                                 
CONECT   41   13   14   15   16                                       
CONECT   41  104                                                      
CONECT   42   65   66   67   68                                       
CONECT   42  105                                                      
CONECT   43    2   14   21   23                                       
CONECT   43   25   26                                                 
CONECT   44    3   13   20   22                                       
CONECT   44   23   24                                                 
CONECT   45    4   15   21   22                                       
CONECT   45   27   28                                                 
CONECT   46    5   15   17   28                                       
CONECT   46   32   37                                                 
CONECT   47    6   15   27   31                                       
CONECT   47   32   36                                                 
CONECT   48    7   14   26   30                                       
CONECT   48   31   35                                                 
CONECT   49    8   14   25   29                                       
CONECT   49   30   34                                                 
CONECT   50    9   13   19   24                                       
CONECT   50   29   33                                                 
CONECT   51   10   16   18   37                                       
CONECT   51   38   40                                                 
CONECT   52   11   16   35   36                                       
CONECT   52   39   40                                                 
CONECT   53   12   16   33   34                                       
CONECT   53   38   39                                                 
CONECT   54   93                                                      
CONECT   55   94                                                      
CONECT   56   95                                                      
CONECT   57   96                                                      
CONECT   58   97                                                      
CONECT   59   98                                                      
CONECT   60   99                                                      
CONECT   61  100                                                      
CONECT   62  101                                                      
CONECT   63  102                                                      
CONECT   64  103                                                      
CONECT   65   42   94  100                                            
CONECT   66   42   93   98   99                                       
CONECT   67   42   95   96   97                                       
CONECT   68   42  101  102  103                                       
CONECT   69   96    1                                                 
CONECT   70  101    1                                                 
CONECT   71  100    1                                                 
CONECT   72   94    1                                                 
CONECT   73   93   95                                                 
CONECT   74   94   95                                                 
CONECT   75   93   94                                                 
CONECT   76   94  100                                                 
CONECT   77   93   99                                                 
CONECT   78   93   98                                                 
CONECT   79   95   97                                                 
CONECT   80   95   96                                                 
CONECT   81   99  100                                                 
CONECT   82   98   99                                                 
CONECT   83   97   98                                                 
CONECT   84   96   97                                                 
CONECT   85  100  103                                                 
CONECT   86   99  103                                                 
CONECT   87   98  102                                                 
CONECT   88   97  102                                                 
CONECT   89   96  101                                                 
CONECT   90  101  103                                                 
CONECT   91  102  103                                                 
CONECT   92  101  102                                                 
CONECT   93   54   66   73   75                                       
CONECT   93   77   78                                                 
CONECT   94   55   65   72   74                                       
CONECT   94   75   76                                                 
CONECT   95   56   67   73   74                                       
CONECT   95   79   80                                                 
CONECT   96   57   67   69   80                                       
CONECT   96   84   89                                                 
CONECT   97   58   67   79   83                                       
CONECT   97   84   88                                                 
CONECT   98   59   66   78   82                                       
CONECT   98   83   87                                                 
CONECT   99   60   66   77   81                                       
CONECT   99   82   86                                                 
CONECT  100   61   65   71   76                                       
CONECT  100   81   85                                                 
CONECT  101   62   68   70   89                                       
CONECT  101   90   92                                                 
CONECT  102   63   68   87   88                                       
CONECT  102   91   92                                                 
CONECT  103   64   68   85   86                                       
CONECT  103   90   91                                                 
CONECT  104   41                                                      
CONECT  105   42                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
