COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.689   1.525   0.284  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.696   2.107  -0.407  1.00  0.00           C  
HETATM    3  OXT UNL     1      -9.889   3.159  -0.970  1.00  0.00           O  
HETATM    4  CA  UNL     1      -8.342   1.450  -0.481  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.601   1.983  -1.632  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.564   1.738   0.804  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.262   0.981   0.784  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.132   1.568   0.242  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.936   0.879   0.220  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.199  -0.296   1.311  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.008  -0.994   1.295  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.868  -0.410   0.746  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.586  -1.155   0.725  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.442  -0.578   0.177  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.510  -2.384   1.235  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.369  -3.054   1.220  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.328  -4.328   1.760  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.264  -2.538   0.702  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.262  -1.316   0.180  1.00  0.00           C  
HETATM   20  O   UNL     1       0.875  -0.795  -0.342  1.00  0.00           O  
HETATM   21  C   UNL     1       2.044  -1.616  -0.300  1.00  0.00           C  
HETATM   22  C   UNL     1       2.121  -2.459  -1.574  1.00  0.00           C  
HETATM   23  F   UNL     1       2.184  -1.615  -2.688  1.00  0.00           F  
HETATM   24  F   UNL     1       3.266  -3.263  -1.533  1.00  0.00           F  
HETATM   25  F   UNL     1       0.985  -3.270  -1.667  1.00  0.00           F  
HETATM   26  C   UNL     1       3.268  -0.743  -0.200  1.00  0.00           C  
HETATM   27  C   UNL     1       4.358  -1.165   0.539  1.00  0.00           C  
HETATM   28  C   UNL     1       5.482  -0.369   0.633  1.00  0.00           C  
HETATM   29  C   UNL     1       3.300   0.476  -0.854  1.00  0.00           C  
HETATM   30  C   UNL     1       4.419   1.280  -0.767  1.00  0.00           C  
HETATM   31  C   UNL     1       5.517   0.862  -0.018  1.00  0.00           C  
HETATM   32  C   UNL     1       6.723   1.722   0.079  1.00  0.00           C  
HETATM   33  C   UNL     1       6.758   2.952  -0.573  1.00  0.00           C  
HETATM   34  C   UNL     1       7.821   1.303   0.827  1.00  0.00           C  
HETATM   35  C   UNL     1       8.941   2.108   0.914  1.00  0.00           C  
HETATM   36  F   UNL     1      10.007   1.705   1.639  1.00  0.00           F  
HETATM   37  C   UNL     1       8.972   3.328   0.258  1.00  0.00           C  
HETATM   38  C   UNL     1       7.882   3.749  -0.481  1.00  0.00           C  
HETATM   39  H   UNL     1     -11.539   1.984   0.303  1.00  0.00           H  
HETATM   40  HA  UNL     1      -8.467   0.373  -0.597  1.00  0.00           H  
HETATM   41  H1  UNL     1      -8.062   1.749  -2.499  1.00  0.00           H  
HETATM   42  H2  UNL     1      -7.472   2.980  -1.549  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.363   2.807   0.875  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.155   1.422   1.664  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.186   2.567  -0.165  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.055   1.338  -0.203  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.082  -0.748   1.737  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.959  -1.991   1.708  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.470   0.417  -0.241  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.129  -4.718   2.142  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.498  -4.830   1.755  1.00  0.00           H  
HETATM   52  H   UNL     1       1.995  -2.273   0.568  1.00  0.00           H  
HETATM   53  H   UNL     1       4.330  -2.120   1.044  1.00  0.00           H  
HETATM   54  H   UNL     1       6.332  -0.700   1.212  1.00  0.00           H  
HETATM   55  H   UNL     1       2.448   0.800  -1.433  1.00  0.00           H  
HETATM   56  H   UNL     1       4.443   2.231  -1.278  1.00  0.00           H  
HETATM   57  H   UNL     1       5.907   3.282  -1.151  1.00  0.00           H  
HETATM   58  H   UNL     1       7.797   0.352   1.339  1.00  0.00           H  
HETATM   59  H   UNL     1       9.849   3.955   0.328  1.00  0.00           H  
HETATM   60  H   UNL     1       7.909   4.702  -0.987  1.00  0.00           H  
CONECT    1    2   39                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    6    5   40                                       
CONECT    5    4   41   42                                            
CONECT    6    4    7   43   44                                       
CONECT    7    6   10   10    8                                       
CONECT    8    7    9    9   45                                       
CONECT    9    8    8   12   46                                       
CONECT   10    7    7   11   47                                       
CONECT   11   10   12   12   48                                       
CONECT   12    9   11   11   13                                       
CONECT   13   12   15   15   14                                       
CONECT   14   13   19   19   49                                       
CONECT   15   13   13   16                                            
CONECT   16   15   17   18   18                                       
CONECT   17   16   50   51                                            
CONECT   18   16   16   19                                            
CONECT   19   14   14   18   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   26   22   52                                       
CONECT   22   21   23   25   24                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   21   29   29   27                                       
CONECT   27   26   28   28   53                                       
CONECT   28   27   27   31   54                                       
CONECT   29   26   26   30   55                                       
CONECT   30   29   31   31   56                                       
CONECT   31   28   30   30   32                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32   38   57                                       
CONECT   34   32   35   35   58                                       
CONECT   35   34   34   37   36                                       
CONECT   36   35                                                      
CONECT   37   35   38   38   59                                       
CONECT   38   33   37   37   60                                       
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   21                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   37                                                      
CONECT   60   38                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
