COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      13.980   3.468   5.641  1.00  0.00           P  
HETATM    2  O   UNL     1      14.427   2.173   6.253  1.00  0.00           O  
HETATM    3  O   UNL     1      14.977   4.715   5.892  1.00  0.00           O  
HETATM    4  O   UNL     1      12.560   4.019   6.184  1.00  0.00           O  
HETATM    5  C   UNL     1      13.774   3.423   3.883  1.00  0.00           C  
HETATM    6  F   UNL     1      15.060   3.206   3.503  1.00  0.00           F  
HETATM    7  F   UNL     1      13.512   4.732   3.629  1.00  0.00           F  
HETATM    8  C   UNL     1      12.788   2.465   3.303  1.00  0.00           C  
HETATM    9  C   UNL     1      11.476   2.873   3.065  1.00  0.00           C  
HETATM   10  C   UNL     1      10.554   1.977   2.525  1.00  0.00           C  
HETATM   11  C   UNL     1      10.956   0.684   2.229  1.00  0.00           C  
HETATM   12  C   UNL     1      12.257   0.264   2.460  1.00  0.00           C  
HETATM   13  C   UNL     1      13.179   1.161   3.001  1.00  0.00           C  
HETATM   14  C   UNL     1       9.959  -0.285   1.644  1.00  0.00           C  
HETATM   15  C   UNL     1       9.202  -1.078   2.717  1.00  0.00           C  
HETATM   16  N   UNL     1       9.985  -2.169   3.240  1.00  0.00           N  
HETATM   17  C   UNL     1       7.927  -1.676   2.134  1.00  0.00           C  
HETATM   18  N   UNL     1       6.816  -0.866   2.354  1.00  0.00           N  
HETATM   19  O   UNL     1       7.896  -2.770   1.575  1.00  0.00           O  
HETATM   20  C   UNL     1       5.483  -1.218   1.950  1.00  0.00           C  
HETATM   21  C   UNL     1       4.751  -1.988   3.043  1.00  0.00           C  
HETATM   22  C   UNL     1       3.331  -2.354   2.609  1.00  0.00           C  
HETATM   23  C   UNL     1       2.610  -3.161   3.693  1.00  0.00           C  
HETATM   24  C   UNL     1       1.177  -3.517   3.299  1.00  0.00           C  
HETATM   25  N   UNL     1      10.148  -4.706   5.736  1.00  0.00           N  
HETATM   26  C   UNL     1      10.804  -3.781   4.848  1.00  0.00           C  
HETATM   27  C   UNL     1      12.084  -3.216   5.456  1.00  0.00           C  
HETATM   28  C   UNL     1      13.082  -4.310   5.747  1.00  0.00           C  
HETATM   29  O   UNL     1      13.181  -5.338   5.090  1.00  0.00           O  
HETATM   30  O   UNL     1      13.849  -4.040   6.832  1.00  0.00           O  
HETATM   31  C   UNL     1       9.818  -2.665   4.527  1.00  0.00           C  
HETATM   32  O   UNL     1       9.003  -2.237   5.342  1.00  0.00           O  
HETATM   33  C   UNL     1       9.360  -5.756   5.279  1.00  0.00           C  
HETATM   34  O   UNL     1       9.142  -6.007   4.096  1.00  0.00           O  
HETATM   35  P   UNL     1      11.551 -12.633   5.035  1.00  0.00           P  
HETATM   36  O   UNL     1      12.875 -11.929   5.028  1.00  0.00           O  
HETATM   37  O   UNL     1      11.638 -14.237   5.223  1.00  0.00           O  
HETATM   38  O   UNL     1      10.689 -12.471   3.676  1.00  0.00           O  
HETATM   39  C   UNL     1      10.439 -12.107   6.309  1.00  0.00           C  
HETATM   40  F   UNL     1      11.131 -12.512   7.405  1.00  0.00           F  
HETATM   41  F   UNL     1       9.427 -12.998   6.140  1.00  0.00           F  
HETATM   42  C   UNL     1      10.784  -9.736   7.023  1.00  0.00           C  
HETATM   43  C   UNL     1      10.014 -10.678   6.339  1.00  0.00           C  
HETATM   44  C   UNL     1       8.848 -10.282   5.684  1.00  0.00           C  
HETATM   45  C   UNL     1       8.452  -8.945   5.712  1.00  0.00           C  
HETATM   46  C   UNL     1       8.798  -6.574   6.425  1.00  0.00           C  
HETATM   47  C   UNL     1      10.388  -8.399   7.051  1.00  0.00           C  
HETATM   48  C   UNL     1       9.226  -8.017   6.395  1.00  0.00           C  
HETATM   49  C   UNL     1       0.441  -4.263   4.394  1.00  0.00           C  
HETATM   50  O   UNL     1       0.979  -4.524   5.468  1.00  0.00           O  
HETATM   51  N   UNL     1      -0.859  -4.588   4.044  1.00  0.00           N  
HETATM   52  C   UNL     1      -1.760  -5.294   4.926  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.812  -6.101   4.165  1.00  0.00           C  
HETATM   54  S   UNL     1      -2.056  -7.354   3.084  1.00  0.00           S  
HETATM   55  C   UNL     1      -2.435  -4.245   5.799  1.00  0.00           C  
HETATM   56  O   UNL     1      -2.729  -3.118   5.409  1.00  0.00           O  
HETATM   57  N   UNL     1      -2.636  -4.676   7.093  1.00  0.00           N  
HETATM   58  H   UNL     1      15.270   4.912   6.807  1.00  0.00           H  
HETATM   59  H   UNL     1      12.417   4.090   7.151  1.00  0.00           H  
HETATM   60  H   UNL     1      11.163   3.888   3.298  1.00  0.00           H  
HETATM   61  H   UNL     1       9.533   2.304   2.343  1.00  0.00           H  
HETATM   62  H   UNL     1      12.570  -0.750   2.228  1.00  0.00           H  
HETATM   63  H   UNL     1      14.199   0.834   3.183  1.00  0.00           H  
HETATM   64  H   UNL     1       9.251   0.256   1.001  1.00  0.00           H  
HETATM   65  H   UNL     1      10.496  -0.967   0.971  1.00  0.00           H  
HETATM   66  H   UNL     1       8.943  -0.442   3.571  1.00  0.00           H  
HETATM   67  H   UNL     1      10.689  -2.595   2.641  1.00  0.00           H  
HETATM   68  H   UNL     1       6.956   0.025   2.829  1.00  0.00           H  
HETATM   69  H   UNL     1       4.960  -0.289   1.705  1.00  0.00           H  
HETATM   70  H   UNL     1       5.566  -1.820   1.039  1.00  0.00           H  
HETATM   71  H   UNL     1       4.716  -1.384   3.958  1.00  0.00           H  
HETATM   72  H   UNL     1       5.311  -2.899   3.289  1.00  0.00           H  
HETATM   73  H   UNL     1       3.374  -2.933   1.679  1.00  0.00           H  
HETATM   74  H   UNL     1       2.766  -1.439   2.395  1.00  0.00           H  
HETATM   75  H   UNL     1       3.182  -4.070   3.913  1.00  0.00           H  
HETATM   76  H   UNL     1       2.579  -2.572   4.617  1.00  0.00           H  
HETATM   77  H   UNL     1       0.621  -2.599   3.073  1.00  0.00           H  
HETATM   78  H   UNL     1       1.165  -4.128   2.389  1.00  0.00           H  
HETATM   79  H   UNL     1      10.265  -4.586   6.739  1.00  0.00           H  
HETATM   80  H   UNL     1      11.020  -4.339   3.929  1.00  0.00           H  
HETATM   81  H   UNL     1      12.576  -2.518   4.767  1.00  0.00           H  
HETATM   82  H   UNL     1      11.894  -2.642   6.371  1.00  0.00           H  
HETATM   83  H   UNL     1      14.503  -4.736   7.061  1.00  0.00           H  
HETATM   84  H   UNL     1      12.238 -14.751   4.641  1.00  0.00           H  
HETATM   85  H   UNL     1      11.119 -12.665   2.816  1.00  0.00           H  
HETATM   86  H   UNL     1      11.694 -10.035   7.536  1.00  0.00           H  
HETATM   87  H   UNL     1       8.243 -11.009   5.149  1.00  0.00           H  
HETATM   88  H   UNL     1       7.542  -8.646   5.198  1.00  0.00           H  
HETATM   89  H   UNL     1       7.703  -6.515   6.398  1.00  0.00           H  
HETATM   90  H   UNL     1       9.112  -6.114   7.371  1.00  0.00           H  
HETATM   91  H   UNL     1      10.994  -7.672   7.585  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.215  -4.304   3.136  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.146  -5.943   5.562  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.490  -6.612   4.859  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.423  -5.445   3.537  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.898  -7.176   2.058  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.352  -5.613   7.359  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.064  -4.068   7.784  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1    5                                                      
CONECT    2    1    1                                                 
CONECT    3    1   58                                                 
CONECT    4    1   59                                                 
CONECT    5    1    6    7    8                                       
CONECT    6    5                                                      
CONECT    7    5                                                      
CONECT    8    5    9    9   13                                       
CONECT    9    8    8   10   60                                       
CONECT   10    9   11   11   61                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   62                                       
CONECT   13    8   12   12   63                                       
CONECT   14   11   15   64   65                                       
CONECT   15   14   16   17   66                                       
CONECT   16   15   31   67                                            
CONECT   17   15   18   19   19                                       
CONECT   18   17   20   68                                            
CONECT   19   17   17                                                 
CONECT   20   18   21   69   70                                       
CONECT   21   20   22   71   72                                       
CONECT   22   21   23   73   74                                       
CONECT   23   22   24   75   76                                       
CONECT   24   23   49   77   78                                       
CONECT   25   26   33   79                                            
CONECT   26   25   27   31   80                                       
CONECT   27   26   28   81   82                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   83                                                 
CONECT   31   16   26   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   25   34   34   46                                       
CONECT   34   33   33                                                 
CONECT   35   36   36   37   38                                       
CONECT   35   39                                                      
CONECT   36   35   35                                                 
CONECT   37   35   84                                                 
CONECT   38   35   85                                                 
CONECT   39   35   40   41   43                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   43   43   47   86                                       
CONECT   43   39   42   42   44                                       
CONECT   44   43   45   45   87                                       
CONECT   45   44   44   48   88                                       
CONECT   46   33   48   89   90                                       
CONECT   47   42   48   48   91                                       
CONECT   48   45   46   47   47                                       
CONECT   49   24   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   92                                            
CONECT   52   51   53   55   93                                       
CONECT   53   52   54   94   95                                       
CONECT   54   53   96                                                 
CONECT   55   52   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57   55   97   98                                            
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   30                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   42                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
CONECT   92   51                                                      
CONECT   93   52                                                      
CONECT   94   53                                                      
CONECT   95   53                                                      
CONECT   96   54                                                      
CONECT   97   57                                                      
CONECT   98   57                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
