COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.871  -0.397  -0.652  1.00  0.00           N  
HETATM    2  N   UNL     1       7.776   0.246  -0.125  1.00  0.00           N  
HETATM    3  C   UNL     1     -11.756  -1.417  -1.234  1.00  0.00           C  
HETATM    4  C   UNL     1      10.409  -0.025  -0.368  1.00  0.00           C  
HETATM    5  C   UNL     1      10.888   0.860   0.579  1.00  0.00           C  
HETATM    6  C   UNL     1      11.568   1.996   0.181  1.00  0.00           C  
HETATM    7  C   UNL     1      11.769   2.246  -1.163  1.00  0.00           C  
HETATM    8  C   UNL     1      10.615   0.222  -1.712  1.00  0.00           C  
HETATM    9  C   UNL     1       8.193  -0.958   0.159  1.00  0.00           C  
HETATM   10  C   UNL     1       1.417   0.570   0.554  1.00  0.00           C  
HETATM   11  C   UNL     1       3.410   0.295  -0.754  1.00  0.00           C  
HETATM   12  C   UNL     1       2.117   0.231   1.704  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.186   0.184   0.262  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.682   1.466   0.540  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.915   0.668   0.143  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.082  -0.859  -0.079  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.387  -1.383   0.026  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.314  -0.033   0.701  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.751   0.494   0.637  1.00  0.00           C  
HETATM   20  O   UNL     1     -13.591  -0.498   0.041  1.00  0.00           O  
HETATM   21  C   UNL     1     -13.188  -0.877  -1.278  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.475  -0.855  -0.644  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.558   0.312  -0.269  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.105  -0.165  -0.261  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.248   0.924   0.089  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.459  -0.589  -0.132  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.025   1.699   0.479  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.506   2.941   0.749  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.550   3.948   1.087  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.611  -2.083  -0.345  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.327  -2.352  -0.300  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.801  -0.093   0.309  1.00  0.00           C  
HETATM   33  O   UNL     1       0.094   0.874   0.630  1.00  0.00           O  
HETATM   34  C   UNL     1       2.067   0.603  -0.674  1.00  0.00           C  
HETATM   35  F   UNL     1       1.383   0.938  -1.791  1.00  0.00           F  
HETATM   36  C   UNL     1       3.459  -0.077   1.630  1.00  0.00           C  
HETATM   37  C   UNL     1       4.114  -0.049   0.399  1.00  0.00           C  
HETATM   38  C   UNL     1       5.556  -0.382   0.318  1.00  0.00           C  
HETATM   39  C   UNL     1       6.022  -1.689   0.625  1.00  0.00           C  
HETATM   40  O   UNL     1       5.244  -2.565   0.962  1.00  0.00           O  
HETATM   41  N   UNL     1       7.346  -1.937   0.534  1.00  0.00           N  
HETATM   42  C   UNL     1       7.862  -3.273   0.842  1.00  0.00           C  
HETATM   43  C   UNL     1       6.484   0.573  -0.059  1.00  0.00           C  
HETATM   44  C   UNL     1       9.666  -1.263   0.065  1.00  0.00           C  
HETATM   45  C   UNL     1      11.290   1.361  -2.110  1.00  0.00           C  
HETATM   46  H   UNL     1     -11.425  -1.653  -2.245  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.726  -2.317  -0.621  1.00  0.00           H  
HETATM   48  H   UNL     1      10.730   0.665   1.629  1.00  0.00           H  
HETATM   49  H   UNL     1      11.942   2.688   0.921  1.00  0.00           H  
HETATM   50  H   UNL     1      12.301   3.134  -1.474  1.00  0.00           H  
HETATM   51  H   UNL     1      10.241  -0.470  -2.452  1.00  0.00           H  
HETATM   52  H   UNL     1       3.915   0.321  -1.709  1.00  0.00           H  
HETATM   53  H   UNL     1       1.610   0.210   2.657  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.004   2.265   0.801  1.00  0.00           H  
HETATM   55  H   UNL     1       0.664  -1.633   0.052  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.277  -0.911   1.345  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.660   0.742   1.102  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.104   0.711   1.645  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.779   1.403   0.037  1.00  0.00           H  
HETATM   60  H   UNL     1     -13.229  -0.007  -1.934  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.857  -1.650  -1.655  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.360  -1.656   0.086  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.208  -1.224  -1.634  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.673   1.113  -0.999  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.826   0.681   0.720  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.990  -0.966   0.470  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.837  -0.534  -1.250  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.155  -1.373  -0.390  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.065   4.889   1.277  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.004   3.645   1.980  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.851   4.077   0.260  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.992  -3.355  -0.518  1.00  0.00           H  
HETATM   73  H   UNL     1       4.003  -0.339   2.526  1.00  0.00           H  
HETATM   74  H   UNL     1       8.109  -3.331   1.902  1.00  0.00           H  
HETATM   75  H   UNL     1       7.104  -4.019   0.605  1.00  0.00           H  
HETATM   76  H   UNL     1       8.757  -3.462   0.250  1.00  0.00           H  
HETATM   77  H   UNL     1       6.165   1.576  -0.299  1.00  0.00           H  
HETATM   78  H   UNL     1       9.827  -2.057  -0.664  1.00  0.00           H  
HETATM   79  H   UNL     1      10.034  -1.584   1.040  1.00  0.00           H  
HETATM   80  H   UNL     1      11.447   1.556  -3.161  1.00  0.00           H  
CONECT    1   22   18    3                                            
CONECT    2    9    9   43                                            
CONECT    3    1   21   46   47                                       
CONECT    4    8    8    5   44                                       
CONECT    5    6    6    4   48                                       
CONECT    6    7    5    5   49                                       
CONECT    7   45   45    6   50                                       
CONECT    8   45    4    4   51                                       
CONECT    9   44   41    2    2                                       
CONECT   10   34   34   12   33                                       
CONECT   11   37   37   34   52                                       
CONECT   12   36   36   10   53                                       
CONECT   13   32   14   14   16                                       
CONECT   14   13   13   27   54                                       
CONECT   15   27   27   26   25                                       
CONECT   16   13   30   26   26                                       
CONECT   17   32   32   31   55                                       
CONECT   18    1   19   56   57                                       
CONECT   19   18   20   58   59                                       
CONECT   20   19   21                                                 
CONECT   21    3   20   60   61                                       
CONECT   22   23    1   62   63                                       
CONECT   23   24   22   64   65                                       
CONECT   24   25   23   66   67                                       
CONECT   25   15   24                                                 
CONECT   26   16   16   15   68                                       
CONECT   27   14   28   15   15                                       
CONECT   28   29   27                                                 
CONECT   29   28   69   70   71                                       
CONECT   30   31   31   16                                            
CONECT   31   17   30   30   72                                       
CONECT   32   33   17   17   13                                       
CONECT   33   10   32                                                 
CONECT   34   11   35   10   10                                       
CONECT   35   34                                                      
CONECT   36   37   12   12   73                                       
CONECT   37   38   11   11   36                                       
CONECT   38   39   43   43   37                                       
CONECT   39   41   40   40   38                                       
CONECT   40   39   39                                                 
CONECT   41   42    9   39                                            
CONECT   42   41   74   75   76                                       
CONECT   43    2   38   38   77                                       
CONECT   44    4    9   78   79                                       
CONECT   45    7    7    8   80                                       
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   36                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
