COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.216   2.130   2.869  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.685   2.405   2.677  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.448   2.857   3.736  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.798   3.110   3.560  1.00  0.00           C  
HETATM    5  F   UNL     1      -5.543   3.552   4.597  1.00  0.00           F  
HETATM    6  C   UNL     1      -5.385   2.911   2.322  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.625   2.459   1.261  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.264   2.243  -0.087  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.271   2.209   1.434  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.521   1.770   0.390  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.420   0.428   0.197  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.071  -0.447   1.052  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.970  -1.811   0.858  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.215  -2.314  -0.196  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.116  -3.696  -0.387  1.00  0.00           N  
HETATM   16  S   UNL     1      -3.471  -4.644  -0.292  1.00  0.00           S  
HETATM   17  O   UNL     1      -2.991  -5.964  -0.510  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.069  -4.277   0.943  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.501  -4.103  -1.684  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.798  -4.914  -1.704  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.560  -1.447  -1.057  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.664  -0.071  -0.868  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.965   0.861  -1.786  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.673   1.552  -2.718  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.077   2.418  -3.582  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.898   3.133  -4.564  1.00  0.00           C  
HETATM   27  C   UNL     1       0.255   2.633  -3.551  1.00  0.00           C  
HETATM   28  O   UNL     1       0.774   3.412  -4.331  1.00  0.00           O  
HETATM   29  C   UNL     1       1.064   1.919  -2.571  1.00  0.00           C  
HETATM   30  C   UNL     1       2.483   1.882  -2.236  1.00  0.00           C  
HETATM   31  C   UNL     1       0.437   1.034  -1.685  1.00  0.00           C  
HETATM   32  O   UNL     1       1.385   0.515  -0.890  1.00  0.00           O  
HETATM   33  C   UNL     1       2.601   1.002  -1.209  1.00  0.00           C  
HETATM   34  C   UNL     1       3.867   0.641  -0.538  1.00  0.00           C  
HETATM   35  C   UNL     1       3.865  -0.281   0.511  1.00  0.00           C  
HETATM   36  C   UNL     1       5.048  -0.615   1.135  1.00  0.00           C  
HETATM   37  C   UNL     1       5.046  -1.610   2.267  1.00  0.00           C  
HETATM   38  C   UNL     1       5.069   1.216  -0.954  1.00  0.00           C  
HETATM   39  C   UNL     1       6.247   0.877  -0.324  1.00  0.00           C  
HETATM   40  C   UNL     1       7.546   1.498  -0.772  1.00  0.00           C  
HETATM   41  C   UNL     1       6.240  -0.036   0.722  1.00  0.00           C  
HETATM   42  O   UNL     1       7.404  -0.368   1.339  1.00  0.00           O  
HETATM   43  C   UNL     1       8.131  -1.475   0.802  1.00  0.00           C  
HETATM   44  C   UNL     1       9.403  -1.696   1.622  1.00  0.00           C  
HETATM   45  O   UNL     1       9.051  -2.085   2.951  1.00  0.00           O  
HETATM   46  H   UNL     1      -0.647   3.036   2.661  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.037   1.816   3.897  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.902   1.339   2.188  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.991   3.014   4.702  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.438   3.109   2.186  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.202   3.161  -0.670  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.743   1.443  -0.612  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.311   1.968   0.048  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.659  -0.062   1.872  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.478  -2.489   1.527  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.254  -4.100  -0.576  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.736  -3.045  -1.572  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.960  -4.258  -2.618  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.562  -5.973  -1.816  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.338  -4.759  -0.771  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.416  -4.589  -2.541  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.973  -1.838  -1.875  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.742   1.408  -2.776  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.239   4.075  -4.135  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.304   3.333  -5.456  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.760   2.521  -4.831  1.00  0.00           H  
HETATM   67  H   UNL     1       3.278   2.440  -2.708  1.00  0.00           H  
HETATM   68  H   UNL     1       2.937  -0.731   0.834  1.00  0.00           H  
HETATM   69  H   UNL     1       5.185  -2.615   1.868  1.00  0.00           H  
HETATM   70  H   UNL     1       5.859  -1.378   2.956  1.00  0.00           H  
HETATM   71  H   UNL     1       4.095  -1.557   2.796  1.00  0.00           H  
HETATM   72  H   UNL     1       5.076   1.926  -1.767  1.00  0.00           H  
HETATM   73  H   UNL     1       7.722   2.415  -0.211  1.00  0.00           H  
HETATM   74  H   UNL     1       8.363   0.799  -0.594  1.00  0.00           H  
HETATM   75  H   UNL     1       7.490   1.728  -1.836  1.00  0.00           H  
HETATM   76  H   UNL     1       7.512  -2.371   0.843  1.00  0.00           H  
HETATM   77  H   UNL     1       8.399  -1.265  -0.234  1.00  0.00           H  
HETATM   78  H   UNL     1      10.002  -2.482   1.160  1.00  0.00           H  
HETATM   79  H   UNL     1       9.980  -0.772   1.655  1.00  0.00           H  
HETATM   80  H   UNL     1       9.811  -2.243   3.529  1.00  0.00           H  
CONECT    1    2   46   47   48                                       
CONECT    2    1    3    9    9                                       
CONECT    3    2    4    4   49                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4                                                      
CONECT    6    4    7    7   50                                       
CONECT    7    9    6    6    8                                       
CONECT    8    7   51   52   53                                       
CONECT    9    2    2   10    7                                       
CONECT   10    9   11                                                 
CONECT   11   22   22   12   10                                       
CONECT   12   13   13   11   54                                       
CONECT   13   14   12   12   55                                       
CONECT   14   15   21   21   13                                       
CONECT   15   16   14   56                                            
CONECT   16   19   15   18   18                                       
CONECT   16   17   17                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   20   16   57   58                                       
CONECT   20   19   59   60   61                                       
CONECT   21   14   14   22   62                                       
CONECT   22   21   23   11   11                                       
CONECT   23   24   24   22   31                                       
CONECT   24   25   23   23   63                                       
CONECT   25   26   24   27                                            
CONECT   26   25   64   65   66                                       
CONECT   27   25   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   31   31   30                                       
CONECT   30   29   33   33   67                                       
CONECT   31   23   29   29   32                                       
CONECT   32   31   33                                                 
CONECT   33   32   30   30   34                                       
CONECT   34   33   35   35   38                                       
CONECT   35   34   34   36   68                                       
CONECT   36   35   37   41   41                                       
CONECT   37   36   69   70   71                                       
CONECT   38   34   39   39   72                                       
CONECT   39   38   38   41   40                                       
CONECT   40   39   73   74   75                                       
CONECT   41   36   36   39   42                                       
CONECT   42   41   43                                                 
CONECT   43   42   44   76   77                                       
CONECT   44   43   45   78   79                                       
CONECT   45   44   80                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    3                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   30                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   43                                                      
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
