COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.498   3.653   0.053  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.798  -3.433  -0.686  1.00  0.00           C  
HETATM    3  C   UNL     1       0.400  -2.128   0.967  1.00  0.00           C  
HETATM    4  C   UNL     1       1.584  -3.746  -0.391  1.00  0.00           C  
HETATM    5  C   UNL     1       3.285  -2.372  -1.570  1.00  0.00           C  
HETATM    6  C   UNL     1       5.313  -1.638  -0.453  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.012  -2.469   1.173  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.370  -0.918   0.693  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.364   0.092   0.608  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.692  -0.286   0.815  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.241   1.510   0.321  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.379   2.175   0.319  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.689   3.889  -1.447  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.747  -4.148   1.687  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.021  -1.660   0.577  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.904  -2.378  -0.770  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.669  -1.035   0.933  1.00  0.00           C  
HETATM   18  C   UNL     1       2.893  -3.000  -0.423  1.00  0.00           C  
HETATM   19  C   UNL     1       4.504  -1.683  -1.605  1.00  0.00           C  
HETATM   20  C   UNL     1       4.890  -2.282   0.706  1.00  0.00           C  
HETATM   21  C   UNL     1       3.690  -2.958   0.714  1.00  0.00           C  
HETATM   22  C   UNL     1       5.180  -0.953  -2.613  1.00  0.00           C  
HETATM   23  C   UNL     1       6.344  -0.494  -2.081  1.00  0.00           C  
HETATM   24  C   UNL     1       7.543  -0.610   0.145  1.00  0.00           C  
HETATM   25  C   UNL     1       7.259   0.698   0.886  1.00  0.00           C  
HETATM   26  C   UNL     1       6.077   1.054   1.821  1.00  0.00           C  
HETATM   27  C   UNL     1       6.882   2.377   1.829  1.00  0.00           C  
HETATM   28  C   UNL     1       7.037   2.119   0.309  1.00  0.00           C  
HETATM   29  C   UNL     1       8.120   1.424   1.943  1.00  0.00           C  
HETATM   30  C   UNL     1       7.428   4.681   2.405  1.00  0.00           C  
HETATM   31  C   UNL     1       2.412  -2.426  -2.797  1.00  0.00           C  
HETATM   32  C   UNL     1       7.320   0.292  -2.774  1.00  0.00           C  
HETATM   33  F   UNL     1      -5.588   3.377  -2.142  1.00  0.00           F  
HETATM   34  F   UNL     1      -7.853   3.242  -1.876  1.00  0.00           F  
HETATM   35  F   UNL     1      -6.800   5.261  -1.693  1.00  0.00           F  
HETATM   36  N   UNL     1      -4.737  -2.159   0.973  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.971  -1.566   1.099  1.00  0.00           N  
HETATM   38  N   UNL     1      -6.346  -3.781   1.463  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.038  -0.610   0.487  1.00  0.00           N  
HETATM   40  N   UNL     1       0.474  -2.785  -0.344  1.00  0.00           N  
HETATM   41  N   UNL     1       6.435  -0.905  -0.766  1.00  0.00           N  
HETATM   42  N   UNL     1       6.592   3.632   2.528  1.00  0.00           N  
HETATM   43  N   UNL     1       8.094   0.916  -3.324  1.00  0.00           N  
HETATM   44  O   UNL     1       8.421   4.587   1.715  1.00  0.00           O  
HETATM   45  S   UNL     1      -7.737   1.119   0.662  1.00  0.00           S  
HETATM   46  H   UNL     1      -7.356   4.051   0.595  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.592   4.157   0.388  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.051  -4.164   0.083  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.703  -3.936  -1.648  1.00  0.00           H  
HETATM   50  H   UNL     1       1.367  -1.684   1.206  1.00  0.00           H  
HETATM   51  H   UNL     1       0.142  -2.865   1.728  1.00  0.00           H  
HETATM   52  H   UNL     1       1.494  -4.362  -1.285  1.00  0.00           H  
HETATM   53  H   UNL     1       1.551  -4.382   0.494  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.290   1.984   0.126  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.814  -5.215   1.901  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.139  -3.583   2.533  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.330  -3.918   0.795  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.305  -2.376   1.349  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.658  -1.655  -1.548  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.851  -2.862  -1.008  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.734  -0.558   1.911  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.404  -0.290   0.182  1.00  0.00           H  
HETATM   63  H   UNL     1       5.502  -2.255   1.596  1.00  0.00           H  
HETATM   64  H   UNL     1       3.363  -3.456   1.615  1.00  0.00           H  
HETATM   65  H   UNL     1       4.834  -0.790  -3.622  1.00  0.00           H  
HETATM   66  H   UNL     1       8.467  -0.511  -0.425  1.00  0.00           H  
HETATM   67  H   UNL     1       7.646  -1.421   0.867  1.00  0.00           H  
HETATM   68  H   UNL     1       5.104   1.110   1.333  1.00  0.00           H  
HETATM   69  H   UNL     1       6.063   0.517   2.770  1.00  0.00           H  
HETATM   70  H   UNL     1       7.916   2.572  -0.148  1.00  0.00           H  
HETATM   71  H   UNL     1       6.124   2.241  -0.273  1.00  0.00           H  
HETATM   72  H   UNL     1       8.207   0.906   2.898  1.00  0.00           H  
HETATM   73  H   UNL     1       9.063   1.824   1.571  1.00  0.00           H  
HETATM   74  H   UNL     1       7.214   5.606   2.920  1.00  0.00           H  
HETATM   75  H   UNL     1       1.659  -1.640  -2.741  1.00  0.00           H  
HETATM   76  H   UNL     1       3.025  -2.279  -3.686  1.00  0.00           H  
HETATM   77  H   UNL     1       1.920  -3.397  -2.851  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.654  -4.458   1.517  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.777   0.302   0.283  1.00  0.00           H  
HETATM   80  H   UNL     1       5.798   3.707   3.080  1.00  0.00           H  
CONECT    1   12   13   46   47                                       
CONECT    2   16   40   48   49                                       
CONECT    3   40   17   50   51                                       
CONECT    4   18   40   52   53                                       
CONECT    5   19   31   18   18                                       
CONECT    6   41   19   19   20                                       
CONECT    7   37   37   36   38                                       
CONECT    8    9   39   36   36                                       
CONECT    9   11   10   10    8                                       
CONECT   10   45    9    9   37                                       
CONECT   11   12   12    9   54                                       
CONECT   12    1   45   11   11                                       
CONECT   13    1   35   34   33                                       
CONECT   14   38   55   56   57                                       
CONECT   15   16   39   17   58                                       
CONECT   16    2   15   59   60                                       
CONECT   17   15    3   61   62                                       
CONECT   18    5    5   21    4                                       
CONECT   19   22    6    6    5                                       
CONECT   20    6   21   21   63                                       
CONECT   21   20   20   18   64                                       
CONECT   22   23   23   19   65                                       
CONECT   23   32   41   22   22                                       
CONECT   24   41   25   66   67                                       
CONECT   25   24   28   29   26                                       
CONECT   26   25   27   68   69                                       
CONECT   27   28   29   26   42                                       
CONECT   28   25   27   70   71                                       
CONECT   29   25   27   72   73                                       
CONECT   30   42   44   44   74                                       
CONECT   31    5   75   76   77                                       
CONECT   32   43   43   43   23                                       
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36    8    8    7                                            
CONECT   37   10    7    7                                            
CONECT   38    7   14   78                                            
CONECT   39    8   15   79                                            
CONECT   40    2    4    3                                            
CONECT   41   24   23    6                                            
CONECT   42   27   30   80                                            
CONECT   43   32   32   32                                            
CONECT   44   30   30                                                 
CONECT   45   12   10                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54   11                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
