COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.579  -3.301   0.296  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.120  -4.569   0.190  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.327  -5.130  -1.056  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.996  -4.423  -2.196  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.456  -3.155  -2.091  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.247  -2.594  -0.845  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.659  -1.212  -0.729  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.211  -1.306  -0.659  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.528  -0.151  -0.553  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.125   0.907  -0.520  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.182  -0.168  -0.484  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.439   1.089  -0.368  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.363   1.503   1.103  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.748   1.811   1.610  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.516   0.808   2.171  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.787   1.088   2.636  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.291   2.377   2.540  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.540   2.655   2.998  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.518   3.382   1.977  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.246   3.098   1.518  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.045   0.900  -0.909  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.706  -0.179  -1.348  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.175   1.929  -0.905  1.00  0.00           N  
HETATM   24  C   UNL     1       1.180   1.745  -1.431  1.00  0.00           C  
HETATM   25  C   UNL     1       1.545   2.931  -2.327  1.00  0.00           C  
HETATM   26  C   UNL     1       2.955   2.733  -2.886  1.00  0.00           C  
HETATM   27  C   UNL     1       0.546   3.023  -3.482  1.00  0.00           C  
HETATM   28  P   UNL     1       2.361   1.644  -0.046  1.00  0.00           P  
HETATM   29  O   UNL     1       1.937   0.576   0.887  1.00  0.00           O  
HETATM   30  O   UNL     1       2.397   3.053   0.732  1.00  0.00           O  
HETATM   31  O   UNL     1       3.829   1.308  -0.616  1.00  0.00           O  
HETATM   32  C   UNL     1       4.954   1.061   0.230  1.00  0.00           C  
HETATM   33  C   UNL     1       6.030   2.077  -0.056  1.00  0.00           C  
HETATM   34  O   UNL     1       5.851   2.925  -0.898  1.00  0.00           O  
HETATM   35  O   UNL     1       7.186   2.039   0.624  1.00  0.00           O  
HETATM   36  C   UNL     1       5.487  -0.324  -0.035  1.00  0.00           C  
HETATM   37  C   UNL     1       5.909  -1.113   1.016  1.00  0.00           C  
HETATM   38  C   UNL     1       5.549  -0.804  -1.331  1.00  0.00           C  
HETATM   39  C   UNL     1       6.037  -2.074  -1.578  1.00  0.00           C  
HETATM   40  C   UNL     1       6.465  -2.867  -0.531  1.00  0.00           C  
HETATM   41  C   UNL     1       6.400  -2.389   0.771  1.00  0.00           C  
HETATM   42  N   UNL     1       6.828  -3.191   1.834  1.00  0.00           N  
HETATM   43  C   UNL     1       7.939  -3.991   1.689  1.00  0.00           C  
HETATM   44  N   UNL     1       8.274  -4.820   2.637  1.00  0.00           N  
HETATM   45  N   UNL     1       8.696  -3.915   0.543  1.00  0.00           N  
HETATM   46  H   UNL     1      -7.421  -2.861   1.270  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.379  -5.122   1.081  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.749  -6.121  -1.138  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.157  -4.862  -3.170  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.197  -2.603  -2.982  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.943  -0.622  -1.601  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.035  -0.730   0.173  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.706  -1.013  -0.510  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.947   1.866  -0.939  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.934   0.689   1.688  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.735   2.389   1.199  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.123  -0.195   2.246  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.387   0.304   3.074  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.568   2.925   3.926  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.909   4.386   1.901  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.642   3.881   1.084  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.446   2.792  -0.554  1.00  0.00           H  
HETATM   63  H   UNL     1       1.222   0.824  -2.013  1.00  0.00           H  
HETATM   64  H   UNL     1       1.511   3.851  -1.743  1.00  0.00           H  
HETATM   65  H   UNL     1       3.013   1.769  -3.392  1.00  0.00           H  
HETATM   66  H   UNL     1       3.180   3.529  -3.595  1.00  0.00           H  
HETATM   67  H   UNL     1       3.677   2.759  -2.070  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.459   3.164  -3.084  1.00  0.00           H  
HETATM   69  H   UNL     1       0.806   3.868  -4.121  1.00  0.00           H  
HETATM   70  H   UNL     1       0.580   2.103  -4.066  1.00  0.00           H  
HETATM   71  H   UNL     1       2.668   3.800   0.181  1.00  0.00           H  
HETATM   72  H   UNL     1       4.649   1.139   1.273  1.00  0.00           H  
HETATM   73  H   UNL     1       7.846   2.712   0.405  1.00  0.00           H  
HETATM   74  H   UNL     1       5.857  -0.739   2.028  1.00  0.00           H  
HETATM   75  H   UNL     1       5.214  -0.186  -2.151  1.00  0.00           H  
HETATM   76  H   UNL     1       6.084  -2.446  -2.591  1.00  0.00           H  
HETATM   77  H   UNL     1       6.846  -3.859  -0.725  1.00  0.00           H  
HETATM   78  H   UNL     1       6.342  -3.184   2.674  1.00  0.00           H  
HETATM   79  H   UNL     1       7.740  -4.874   3.445  1.00  0.00           H  
HETATM   80  H   UNL     1       8.504  -3.234  -0.120  1.00  0.00           H  
HETATM   81  H   UNL     1       9.421  -4.542   0.398  1.00  0.00           H  
CONECT    1    2    2    6   46                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4   48                                       
CONECT    4    3    3    5   49                                       
CONECT    5    4    6    6   50                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   51   52                                       
CONECT    8    7    9                                                 
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   53                                            
CONECT   12   11   21   13   54                                       
CONECT   13   12   14   55   56                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14   16   57                                       
CONECT   16   15   17   17   58                                       
CONECT   17   16   16   19   18                                       
CONECT   18   17   59                                                 
CONECT   19   17   20   20   60                                       
CONECT   20   14   19   19   61                                       
CONECT   21   12   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   62                                            
CONECT   24   23   25   28   63                                       
CONECT   25   24   26   27   64                                       
CONECT   26   25   65   66   67                                       
CONECT   27   25   68   69   70                                       
CONECT   28   24   29   29   31                                       
CONECT   28   30                                                      
CONECT   29   28   28                                                 
CONECT   30   28   71                                                 
CONECT   31   28   32                                                 
CONECT   32   31   36   33   72                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   73                                                 
CONECT   36   32   38   38   37                                       
CONECT   37   36   41   41   74                                       
CONECT   38   36   36   39   75                                       
CONECT   39   38   40   40   76                                       
CONECT   40   39   39   41   77                                       
CONECT   41   37   37   40   42                                       
CONECT   42   41   43   78                                            
CONECT   43   42   45   44   44                                       
CONECT   44   43   43   79                                            
CONECT   45   43   80   81                                            
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   42                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
