COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.596   2.713  -0.049  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.760   1.331  -1.707  1.00  0.00           N  
HETATM    3  C   UNL     1       0.219   0.330  -2.138  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.132   0.326  -2.092  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.784   4.154   0.191  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.677   4.509   0.930  1.00  0.00           C  
HETATM    7  C   UNL     1       8.633  -0.939  -1.390  1.00  0.00           C  
HETATM    8  C   UNL     1       7.592  -1.698  -0.565  1.00  0.00           C  
HETATM    9  C   UNL     1       8.137  -1.941   0.844  1.00  0.00           C  
HETATM   10  C   UNL     1       6.357  -0.902  -0.483  1.00  0.00           C  
HETATM   11  C   UNL     1       5.371  -0.268  -0.417  1.00  0.00           C  
HETATM   12  C   UNL     1       4.169   0.506  -0.337  1.00  0.00           C  
HETATM   13  C   UNL     1       4.104   1.747  -0.975  1.00  0.00           C  
HETATM   14  C   UNL     1       2.941   2.486  -0.892  1.00  0.00           C  
HETATM   15  C   UNL     1       1.865   1.958  -0.167  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.525   2.330  -0.802  1.00  0.00           C  
HETATM   17  C   UNL     1       0.866   0.782  -3.449  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.686   2.419  -1.575  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.722   3.058  -0.677  1.00  0.00           C  
HETATM   20  C   UNL     1       0.508   3.801   0.810  1.00  0.00           C  
HETATM   21  C   UNL     1       2.004   0.711   0.442  1.00  0.00           C  
HETATM   22  C   UNL     1       0.854   0.131   1.225  1.00  0.00           C  
HETATM   23  C   UNL     1       1.238   0.039   2.703  1.00  0.00           C  
HETATM   24  C   UNL     1       1.485   1.423   3.246  1.00  0.00           C  
HETATM   25  C   UNL     1       0.448   2.134   3.820  1.00  0.00           C  
HETATM   26  C   UNL     1       0.674   3.406   4.319  1.00  0.00           C  
HETATM   27  C   UNL     1       1.938   3.965   4.243  1.00  0.00           C  
HETATM   28  C   UNL     1       2.975   3.251   3.668  1.00  0.00           C  
HETATM   29  C   UNL     1       2.749   1.977   3.174  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.692  -1.720   0.883  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.982  -3.137   0.460  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.554  -3.679   0.332  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.269  -4.021   1.652  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.935  -3.862   1.849  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.235  -4.131   3.157  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.291  -4.189   4.268  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.422  -5.132   3.849  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.231  -4.490   2.715  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.913  -3.708  -0.316  1.00  0.00           C  
HETATM   40  C   UNL     1       8.865  -4.086  -1.352  1.00  0.00           C  
HETATM   41  F   UNL     1       1.798  -0.176  -3.863  1.00  0.00           F  
HETATM   42  F   UNL     1      -0.122   0.926  -4.430  1.00  0.00           F  
HETATM   43  F   UNL     1       1.511   2.007  -3.254  1.00  0.00           F  
HETATM   44  F   UNL     1      -0.340   4.102   4.879  1.00  0.00           F  
HETATM   45  F   UNL     1       4.209   3.795   3.592  1.00  0.00           F  
HETATM   46  F   UNL     1      -5.773  -3.980  -1.682  1.00  0.00           F  
HETATM   47  F   UNL     1      -6.693  -4.705   0.280  1.00  0.00           F  
HETATM   48  F   UNL     1      -6.536  -2.467  -0.150  1.00  0.00           F  
HETATM   49  N   UNL     1      -2.082   1.416  -2.155  1.00  0.00           N  
HETATM   50  N   UNL     1      -4.012   2.811  -1.775  1.00  0.00           N  
HETATM   51  N   UNL     1       3.127   0.033   0.338  1.00  0.00           N  
HETATM   52  N   UNL     1       0.543  -1.207   0.716  1.00  0.00           N  
HETATM   53  N   UNL     1      -2.397  -3.437   0.693  1.00  0.00           N  
HETATM   54  N   UNL     1      -3.433  -3.322  -0.246  1.00  0.00           N  
HETATM   55  O   UNL     1      -4.206   1.911  -4.028  1.00  0.00           O  
HETATM   56  O   UNL     1      -6.216   2.660  -2.796  1.00  0.00           O  
HETATM   57  O   UNL     1      -1.570  -1.043   1.375  1.00  0.00           O  
HETATM   58  O   UNL     1       6.366  -4.032  -0.513  1.00  0.00           O  
HETATM   59  O   UNL     1       6.853  -3.049  -2.705  1.00  0.00           O  
HETATM   60  S   UNL     1      -4.972   1.974  -2.833  1.00  0.00           S  
HETATM   61  S   UNL     1       7.235  -3.290  -1.358  1.00  0.00           S  
HETATM   62 CL   UNL     1      -3.259   5.056   0.347  1.00  0.00          Cl  
HETATM   63  H   UNL     1       0.988   0.221  -1.373  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.281  -0.626  -2.290  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.591   0.413  -1.107  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.756  -0.301  -2.730  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.145  -0.126  -1.994  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.732   5.350   1.605  1.00  0.00           H  
HETATM   69  H   UNL     1       8.245  -0.766  -2.394  1.00  0.00           H  
HETATM   70  H   UNL     1       8.848   0.017  -0.914  1.00  0.00           H  
HETATM   71  H   UNL     1       9.548  -1.529  -1.451  1.00  0.00           H  
HETATM   72  H   UNL     1       8.352  -0.985   1.321  1.00  0.00           H  
HETATM   73  H   UNL     1       7.395  -2.482   1.432  1.00  0.00           H  
HETATM   74  H   UNL     1       9.052  -2.530   0.783  1.00  0.00           H  
HETATM   75  H   UNL     1       4.953   2.125  -1.525  1.00  0.00           H  
HETATM   76  H   UNL     1       2.862   3.449  -1.374  1.00  0.00           H  
HETATM   77  H   UNL     1       1.368   4.091   1.396  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.020   0.774   1.116  1.00  0.00           H  
HETATM   79  H   UNL     1       0.427  -0.431   3.260  1.00  0.00           H  
HETATM   80  H   UNL     1       2.144  -0.559   2.806  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.538   1.698   3.878  1.00  0.00           H  
HETATM   82  H   UNL     1       2.115   4.957   4.631  1.00  0.00           H  
HETATM   83  H   UNL     1       3.559   1.418   2.730  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.757  -3.253  -0.601  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.365  -3.824   1.039  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.707  -5.083   3.102  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.526  -3.329   3.365  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.832  -4.556   5.186  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.694  -3.191   4.438  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.999  -6.076   3.505  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.075  -5.317   4.702  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.795  -3.641   3.101  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.916  -5.225   2.292  1.00  0.00           H  
HETATM   94  H   UNL     1       9.215  -4.189  -0.326  1.00  0.00           H  
HETATM   95  H   UNL     1       8.790  -5.071  -1.811  1.00  0.00           H  
HETATM   96  H   UNL     1       9.569  -3.475  -1.917  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.371   3.574  -1.294  1.00  0.00           H  
HETATM   98  H   UNL     1       1.225  -1.723   0.259  1.00  0.00           H  
CONECT    1   20   15   16   16                                       
CONECT    2   16    3   49                                            
CONECT    3   17    2   63   64                                       
CONECT    4   60   65   66   67                                       
CONECT    5    6   62   19   19                                       
CONECT    6   20   20    5   68                                       
CONECT    7    8   69   70   71                                       
CONECT    8    9   10    7   61                                       
CONECT    9    8   72   73   74                                       
CONECT   10   11   11   11    8                                       
CONECT   11   12   10   10   10                                       
CONECT   12   13   11   51   51                                       
CONECT   13   14   14   12   75                                       
CONECT   14   13   13   15   76                                       
CONECT   15   14    1   21   21                                       
CONECT   16    1    1   19    2                                       
CONECT   17   42   41    3   43                                       
CONECT   18   19   49   49   50                                       
CONECT   19    5    5   16   18                                       
CONECT   20    6    6    1   77                                       
CONECT   21   15   15   51   22                                       
CONECT   22   21   23   52   78                                       
CONECT   23   22   24   79   80                                       
CONECT   24   23   29   29   25                                       
CONECT   25   24   26   26   81                                       
CONECT   26   25   25   27   44                                       
CONECT   27   28   28   26   82                                       
CONECT   28   29   45   27   27                                       
CONECT   29   24   24   28   83                                       
CONECT   30   52   57   57   31                                       
CONECT   31   30   53   84   85                                       
CONECT   32   54   54   33   39                                       
CONECT   33   34   34   32   38                                       
CONECT   34   53   35   33   33                                       
CONECT   35   34   36   86   87                                       
CONECT   36   35   37   88   89                                       
CONECT   37   36   38   90   91                                       
CONECT   38   33   37   92   93                                       
CONECT   39   32   47   46   48                                       
CONECT   40   61   94   95   96                                       
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   26                                                      
CONECT   45   28                                                      
CONECT   46   39                                                      
CONECT   47   39                                                      
CONECT   48   39                                                      
CONECT   49    2   18   18                                            
CONECT   50   18   60   97                                            
CONECT   51   12   12   21                                            
CONECT   52   22   30   98                                            
CONECT   53   31   54   34                                            
CONECT   54   53   32   32                                            
CONECT   55   60   60                                                 
CONECT   56   60   60                                                 
CONECT   57   30   30                                                 
CONECT   58   61   61                                                 
CONECT   59   61   61                                                 
CONECT   60    4   50   55   55                                       
CONECT   60   56   56                                                 
CONECT   61    8   58   58   59                                       
CONECT   61   59   40                                                 
CONECT   62    5                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    4                                                      
CONECT   67    4                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    7                                                      
CONECT   72    9                                                      
CONECT   73    9                                                      
CONECT   74    9                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   20                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   25                                                      
CONECT   82   27                                                      
CONECT   83   29                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   50                                                      
CONECT   98   52                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
