COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.863   3.485  -1.029  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.904   4.079  -0.841  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.118   5.555  -1.097  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.417   5.889  -0.327  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.115   4.511  -0.274  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.037   3.521  -0.382  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.172   2.167  -0.045  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.081   1.347  -0.038  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.438   1.639   0.298  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.418   2.364   0.295  1.00  0.00           O  
HETATM   11  N   UNL     1      -5.568   0.340   0.626  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.889  -0.183   0.983  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.862  -0.754   2.411  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.221  -2.250   2.296  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.847  -2.618   0.838  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.264  -1.352   0.048  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.503  -0.484   0.638  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.249  -0.016   0.306  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.089  -0.926   0.322  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.236  -2.094   0.628  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.865  -0.464  -0.003  1.00  0.00           N  
HETATM   22  C   UNL     1       0.287  -1.368   0.013  1.00  0.00           C  
HETATM   23  C   UNL     1       0.373  -2.108  -1.324  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.831  -3.000  -1.482  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.975  -2.516  -2.087  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.080  -3.334  -2.232  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.041  -4.636  -1.771  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.896  -5.121  -1.166  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.790  -4.305  -1.026  1.00  0.00           C  
HETATM   30  C   UNL     1       1.567  -0.558   0.230  1.00  0.00           C  
HETATM   31  O   UNL     1       1.780   0.306  -0.887  1.00  0.00           O  
HETATM   32  C   UNL     1       2.756  -1.512   0.371  1.00  0.00           C  
HETATM   33  N   UNL     1       3.964  -0.743   0.699  1.00  0.00           N  
HETATM   34  C   UNL     1       5.128  -1.628   0.842  1.00  0.00           C  
HETATM   35  C   UNL     1       6.346  -0.806   1.178  1.00  0.00           C  
HETATM   36  C   UNL     1       7.139  -0.300   0.164  1.00  0.00           C  
HETATM   37  C   UNL     1       6.666  -0.552   2.498  1.00  0.00           C  
HETATM   38  C   UNL     1       7.783   0.202   2.806  1.00  0.00           C  
HETATM   39  C   UNL     1       8.579   0.703   1.793  1.00  0.00           C  
HETATM   40  C   UNL     1       8.255   0.454   0.472  1.00  0.00           C  
HETATM   41  C   UNL     1       9.120   1.005  -0.632  1.00  0.00           C  
HETATM   42  F   UNL     1       8.655   2.272  -1.001  1.00  0.00           F  
HETATM   43  F   UNL     1      10.441   1.106  -0.184  1.00  0.00           F  
HETATM   44  F   UNL     1       9.067   0.149  -1.737  1.00  0.00           F  
HETATM   45  H   UNL     1      -2.282   6.135  -0.705  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.247   5.742  -2.163  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.193   6.252   0.676  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.020   6.612  -0.876  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.646   4.394   0.670  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.805   4.406  -1.111  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.105   1.732  -0.293  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.636   0.607   0.910  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.866  -0.641   2.840  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.596  -0.240   3.033  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.634  -2.838   3.000  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.287  -2.401   2.466  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.776  -2.796   0.747  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.414  -3.487   0.502  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.337  -1.358  -0.145  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.708  -1.286  -0.888  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.633  -1.523   0.906  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.748   0.468  -0.247  1.00  0.00           H  
HETATM   63  H   UNL     1       0.172  -2.090   0.821  1.00  0.00           H  
HETATM   64  H   UNL     1       0.399  -1.385  -2.138  1.00  0.00           H  
HETATM   65  H   UNL     1       1.279  -2.714  -1.346  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.006  -1.498  -2.447  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.974  -2.955  -2.705  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.904  -5.275  -1.884  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.864  -6.140  -0.810  1.00  0.00           H  
HETATM   70  H   UNL     1       0.104  -4.683  -0.553  1.00  0.00           H  
HETATM   71  H   UNL     1       1.470   0.038   1.138  1.00  0.00           H  
HETATM   72  H   UNL     1       1.876  -0.157  -1.730  1.00  0.00           H  
HETATM   73  H   UNL     1       2.554  -2.229   1.167  1.00  0.00           H  
HETATM   74  H   UNL     1       2.908  -2.045  -0.567  1.00  0.00           H  
HETATM   75  H   UNL     1       4.136  -0.028   0.009  1.00  0.00           H  
HETATM   76  H   UNL     1       4.943  -2.345   1.642  1.00  0.00           H  
HETATM   77  H   UNL     1       5.296  -2.161  -0.093  1.00  0.00           H  
HETATM   78  H   UNL     1       6.886  -0.494  -0.867  1.00  0.00           H  
HETATM   79  H   UNL     1       6.044  -0.943   3.289  1.00  0.00           H  
HETATM   80  H   UNL     1       8.034   0.400   3.838  1.00  0.00           H  
HETATM   81  H   UNL     1       9.452   1.292   2.033  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    6    3                                       
CONECT    3    2    4   45   46                                       
CONECT    4    5    3   47   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6    7    2    5                                            
CONECT    7    9    8    8    6                                       
CONECT    8   18    7    7   51                                       
CONECT    9   11   10   10    7                                       
CONECT   10    9    9                                                 
CONECT   11   12   17    9                                            
CONECT   12   16   13   11   52                                       
CONECT   13   14   12   53   54                                       
CONECT   14   15   13   55   56                                       
CONECT   15   14   16   57   58                                       
CONECT   16   15   12   59   60                                       
CONECT   17   11   18   18   61                                       
CONECT   18   17   17   19    8                                       
CONECT   19   21   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   62                                            
CONECT   22   23   21   30   63                                       
CONECT   23   24   22   64   65                                       
CONECT   24   29   23   25   25                                       
CONECT   25   24   24   26   66                                       
CONECT   26   27   27   25   67                                       
CONECT   27   28   26   26   68                                       
CONECT   28   29   29   27   69                                       
CONECT   29   28   28   24   70                                       
CONECT   30   22   31   32   71                                       
CONECT   31   30   72                                                 
CONECT   32   30   33   73   74                                       
CONECT   33   32   34   75                                            
CONECT   34   33   35   76   77                                       
CONECT   35   36   34   37   37                                       
CONECT   36   40   40   35   78                                       
CONECT   37   35   35   38   79                                       
CONECT   38   39   39   37   80                                       
CONECT   39   40   38   38   81                                       
CONECT   40   41   36   36   39                                       
CONECT   41   44   43   42   40                                       
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   41                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    8                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
