COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.749   4.164  -3.167  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.066   1.773  -2.922  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.107   1.618   0.840  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.694   1.199  -0.203  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.323   1.716  -0.069  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.254   0.269   1.080  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.633   3.391  -1.069  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.494   0.335   0.162  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.604   3.000  -2.184  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.567  -0.438  -0.101  1.00  0.00           N  
HETATM   11  C   UNL     1       6.832   0.767  -1.652  1.00  0.00           C  
HETATM   12  C   UNL     1       8.055   0.086  -2.280  1.00  0.00           C  
HETATM   13  C   UNL     1       3.312  -2.174   1.215  1.00  0.00           C  
HETATM   14  C   UNL     1       2.146  -1.956   0.506  1.00  0.00           C  
HETATM   15  C   UNL     1       1.797  -2.800  -0.532  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.495  -1.690   0.196  1.00  0.00           C  
HETATM   17  C   UNL     1       0.689   1.579   0.330  1.00  0.00           C  
HETATM   18  C   UNL     1       1.671   0.437   0.060  1.00  0.00           C  
HETATM   19  C   UNL     1       4.096   0.271  -0.108  1.00  0.00           C  
HETATM   20  C   UNL     1       6.448  -0.016  -0.395  1.00  0.00           C  
HETATM   21  C   UNL     1       8.912  -0.576  -0.118  1.00  0.00           C  
HETATM   22  C   UNL     1       9.551   1.213   1.210  1.00  0.00           C  
HETATM   23  C   UNL     1       8.012   1.291   1.106  1.00  0.00           C  
HETATM   24  C   UNL     1       7.616  -0.097   0.566  1.00  0.00           C  
HETATM   25  C   UNL     1       1.253  -0.796   0.864  1.00  0.00           C  
HETATM   26  C   UNL     1       4.131  -3.238   0.887  1.00  0.00           C  
HETATM   27  C   UNL     1       2.615  -3.865  -0.861  1.00  0.00           C  
HETATM   28  C   UNL     1       3.783  -4.085  -0.151  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.146   2.337   0.267  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.441  -0.377   0.745  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.772  -2.180  -0.607  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.648  -2.193  -2.132  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.887  -3.137  -0.178  1.00  0.00           C  
HETATM   34  F   UNL     1       4.583  -5.125  -0.472  1.00  0.00           F  
HETATM   35  N   UNL     1      -1.605   2.336  -0.052  1.00  0.00           N  
HETATM   36  N   UNL     1      -8.505  -2.608  -0.010  1.00  0.00           N  
HETATM   37  N   UNL     1       3.019   0.847   0.461  1.00  0.00           N  
HETATM   38  O   UNL     1       9.127   0.130  -1.342  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.922   3.805   1.431  1.00  0.00           O  
HETATM   40  O   UNL     1       0.609   1.816   1.737  1.00  0.00           O  
HETATM   41  O   UNL     1       3.949  -0.590  -0.954  1.00  0.00           O  
HETATM   42  O   UNL     1       5.335   0.648   0.260  1.00  0.00           O  
HETATM   43  O   UNL     1       9.937  -0.113   0.803  1.00  0.00           O  
HETATM   44  O   UNL     1      -1.997   1.645   2.284  1.00  0.00           O  
HETATM   45  S   UNL     1      -5.933  -2.060   0.912  1.00  0.00           S  
HETATM   46  S   UNL     1      -2.603   2.430   1.266  1.00  0.00           S  
HETATM   47  H   UNL     1      -3.441   3.885  -3.961  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.132   5.038  -2.641  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.775   4.398  -3.598  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.089   0.909  -2.257  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.685   1.574  -3.797  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.039   1.960  -3.238  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.617   0.932  -1.257  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.079   0.349   0.361  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.123   2.289  -0.514  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.446  -0.289   1.530  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.634   3.521  -1.486  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.960   4.326  -0.613  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.578   2.766  -1.752  1.00  0.00           H  
HETATM   60  H   UNL     1       7.079   1.794  -1.385  1.00  0.00           H  
HETATM   61  H   UNL     1       6.003   0.759  -2.360  1.00  0.00           H  
HETATM   62  H   UNL     1       7.816  -0.951  -2.515  1.00  0.00           H  
HETATM   63  H   UNL     1       8.342   0.615  -3.189  1.00  0.00           H  
HETATM   64  H   UNL     1       3.585  -1.511   2.022  1.00  0.00           H  
HETATM   65  H   UNL     1       0.886  -2.628  -1.085  1.00  0.00           H  
HETATM   66  H   UNL     1       1.036   2.483  -0.172  1.00  0.00           H  
HETATM   67  H   UNL     1       1.665   0.197  -1.003  1.00  0.00           H  
HETATM   68  H   UNL     1       6.147  -1.025  -0.678  1.00  0.00           H  
HETATM   69  H   UNL     1       8.939  -1.656  -0.258  1.00  0.00           H  
HETATM   70  H   UNL     1      10.006   1.951   0.550  1.00  0.00           H  
HETATM   71  H   UNL     1       9.866   1.392   2.239  1.00  0.00           H  
HETATM   72  H   UNL     1       7.570   1.462   2.087  1.00  0.00           H  
HETATM   73  H   UNL     1       7.714   2.074   0.408  1.00  0.00           H  
HETATM   74  H   UNL     1       7.366  -0.758   1.396  1.00  0.00           H  
HETATM   75  H   UNL     1       0.218  -1.048   0.631  1.00  0.00           H  
HETATM   76  H   UNL     1       1.344  -0.583   1.929  1.00  0.00           H  
HETATM   77  H   UNL     1       5.042  -3.409   1.441  1.00  0.00           H  
HETATM   78  H   UNL     1       2.343  -4.525  -1.671  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.027   3.395   0.085  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.010  -1.171  -0.271  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.592  -1.875  -2.576  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.855  -1.512  -2.438  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.410  -3.203  -2.468  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.975  -3.127   0.909  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.830  -2.819  -0.622  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.649  -4.146  -0.514  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.375  -3.536   0.240  1.00  0.00           H  
HETATM   88  H   UNL     1       3.136   1.534   1.136  1.00  0.00           H  
HETATM   89  H   UNL     1       0.307   1.053   2.248  1.00  0.00           H  
CONECT    1    9   47   48   49                                       
CONECT    2    9   50   51   52                                       
CONECT    3   29   29    6   46                                       
CONECT    4   35   17   53   54                                       
CONECT    5    8    8   29   55                                       
CONECT    6   30   30    3   56                                       
CONECT    7   35    9   57   58                                       
CONECT    8   10    5    5   30                                       
CONECT    9    7    2    1   59                                       
CONECT   10   16   16    8                                            
CONECT   11   20   12   60   61                                       
CONECT   12   11   38   62   63                                       
CONECT   13   14   14   26   64                                       
CONECT   14   25   13   13   15                                       
CONECT   15   14   27   27   65                                       
CONECT   16   36   10   10   45                                       
CONECT   17    4   40   18   66                                       
CONECT   18   25   17   37   67                                       
CONECT   19   37   41   41   42                                       
CONECT   20   42   11   24   68                                       
CONECT   21   43   24   38   69                                       
CONECT   22   23   43   70   71                                       
CONECT   23   22   24   72   73                                       
CONECT   24   20   23   21   74                                       
CONECT   25   14   18   75   76                                       
CONECT   26   13   28   28   77                                       
CONECT   27   15   15   28   78                                       
CONECT   28   26   26   27   34                                       
CONECT   29    5    3    3   79                                       
CONECT   30   45    8    6    6                                       
CONECT   31   32   33   36   80                                       
CONECT   32   31   81   82   83                                       
CONECT   33   31   84   85   86                                       
CONECT   34   28                                                      
CONECT   35   46    7    4                                            
CONECT   36   31   16   87                                            
CONECT   37   18   19   88                                            
CONECT   38   12   21                                                 
CONECT   39   46   46                                                 
CONECT   40   17   89                                                 
CONECT   41   19   19                                                 
CONECT   42   19   20                                                 
CONECT   43   22   21                                                 
CONECT   44   46   46                                                 
CONECT   45   16   30                                                 
CONECT   46    3   44   44   39                                       
CONECT   46   39   35                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   29                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   40                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
