COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.363  -0.920  -1.552  1.00  0.00           C  
HETATM    2  O   UNL     1     -10.887  -0.036  -0.535  1.00  0.00           O  
HETATM    3  C   UNL     1      -9.542   0.044  -0.367  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.025   0.880   0.597  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.698  -0.727  -1.172  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.347  -0.665  -1.023  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.789   0.180  -0.054  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.634   0.962   0.771  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.104   1.770   1.696  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.806   1.863   1.867  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.912   1.129   1.098  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.389   0.268   0.125  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.541  -0.461  -0.640  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.206  -0.244  -0.497  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.492  -0.925   0.481  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.135  -0.704   0.625  1.00  0.00           C  
HETATM   17  F   UNL     1      -3.124  -1.802   1.291  1.00  0.00           F  
HETATM   18  C   UNL     1      -2.556   0.653  -1.332  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.200   0.874  -1.188  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.486   0.198  -0.207  1.00  0.00           C  
HETATM   21  N   UNL     1       0.888   0.423  -0.062  1.00  0.00           N  
HETATM   22  C   UNL     1       1.704  -0.593   0.286  1.00  0.00           C  
HETATM   23  O   UNL     1       1.235  -1.680   0.567  1.00  0.00           O  
HETATM   24  C   UNL     1       3.156  -0.386   0.326  1.00  0.00           C  
HETATM   25  C   UNL     1       3.878   0.859   0.017  1.00  0.00           C  
HETATM   26  O   UNL     1       3.387   1.920  -0.321  1.00  0.00           O  
HETATM   27  C   UNL     1       4.115  -1.321   0.666  1.00  0.00           C  
HETATM   28  C   UNL     1       3.849  -2.749   1.066  1.00  0.00           C  
HETATM   29  N   UNL     1       5.327  -0.741   0.579  1.00  0.00           N  
HETATM   30  C   UNL     1       6.601  -1.408   0.862  1.00  0.00           C  
HETATM   31  C   UNL     1       7.123  -2.071  -0.414  1.00  0.00           C  
HETATM   32  C   UNL     1       7.299  -1.013  -1.504  1.00  0.00           C  
HETATM   33  C   UNL     1       8.471  -2.737  -0.127  1.00  0.00           C  
HETATM   34  O   UNL     1       6.189  -3.059  -0.854  1.00  0.00           O  
HETATM   35  N   UNL     1       5.190   0.592   0.183  1.00  0.00           N  
HETATM   36  C   UNL     1       6.238   1.499  -0.009  1.00  0.00           C  
HETATM   37  C   UNL     1       6.323   2.224  -1.191  1.00  0.00           C  
HETATM   38  C   UNL     1       7.358   3.118  -1.378  1.00  0.00           C  
HETATM   39  C   UNL     1       8.310   3.293  -0.389  1.00  0.00           C  
HETATM   40  C   UNL     1       8.228   2.572   0.788  1.00  0.00           C  
HETATM   41  C   UNL     1       7.192   1.681   0.983  1.00  0.00           C  
HETATM   42  H   UNL     1     -12.452  -0.889  -1.580  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.965  -0.610  -2.518  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.034  -1.936  -1.332  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.686   1.468   1.216  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.124  -1.380  -1.920  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.705  -1.267  -1.651  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.422   2.528   2.626  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.849   1.226   1.261  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.579  -1.233   1.386  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.111   1.179  -2.095  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.695   1.573  -1.839  1.00  0.00           H  
HETATM   53  H   UNL     1       1.253   1.309  -0.211  1.00  0.00           H  
HETATM   54  H   UNL     1       2.784  -2.962   0.967  1.00  0.00           H  
HETATM   55  H   UNL     1       4.415  -3.420   0.419  1.00  0.00           H  
HETATM   56  H   UNL     1       4.154  -2.899   2.101  1.00  0.00           H  
HETATM   57  H   UNL     1       7.325  -0.673   1.213  1.00  0.00           H  
HETATM   58  H   UNL     1       6.451  -2.166   1.631  1.00  0.00           H  
HETATM   59  H   UNL     1       7.611  -1.494  -2.431  1.00  0.00           H  
HETATM   60  H   UNL     1       6.353  -0.496  -1.664  1.00  0.00           H  
HETATM   61  H   UNL     1       8.057  -0.294  -1.194  1.00  0.00           H  
HETATM   62  H   UNL     1       8.346  -3.491   0.650  1.00  0.00           H  
HETATM   63  H   UNL     1       8.843  -3.209  -1.036  1.00  0.00           H  
HETATM   64  H   UNL     1       9.184  -1.984   0.209  1.00  0.00           H  
HETATM   65  H   UNL     1       6.028  -3.763  -0.212  1.00  0.00           H  
HETATM   66  H   UNL     1       5.580   2.088  -1.963  1.00  0.00           H  
HETATM   67  H   UNL     1       7.425   3.682  -2.296  1.00  0.00           H  
HETATM   68  H   UNL     1       9.118   3.993  -0.538  1.00  0.00           H  
HETATM   69  H   UNL     1       8.973   2.711   1.558  1.00  0.00           H  
HETATM   70  H   UNL     1       7.129   1.118   1.903  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    3    1                                                 
CONECT    3    5    5    4    2                                       
CONECT    4    8    8    3   45                                       
CONECT    5    6    3    3   46                                       
CONECT    6    7    7    5   47                                       
CONECT    7   12    6    6    8                                       
CONECT    8    7    9    4    4                                       
CONECT    9   10   10    8                                            
CONECT   10   11    9    9   48                                       
CONECT   11   12   12   10   49                                       
CONECT   12   13   11   11    7                                       
CONECT   13   14   12                                                 
CONECT   14   15   15   18   13                                       
CONECT   15   16   17   14   14                                       
CONECT   16   20   20   15   50                                       
CONECT   17   15                                                      
CONECT   18   19   19   14   51                                       
CONECT   19   20   18   18   52                                       
CONECT   20   21   16   16   19                                       
CONECT   21   22   20   53                                            
CONECT   22   24   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   25   27   27   22                                       
CONECT   25   35   26   26   24                                       
CONECT   26   25   25                                                 
CONECT   27   29   28   24   24                                       
CONECT   28   27   54   55   56                                       
CONECT   29   30   35   27                                            
CONECT   30   31   29   57   58                                       
CONECT   31   32   34   33   30                                       
CONECT   32   31   59   60   61                                       
CONECT   33   31   62   63   64                                       
CONECT   34   31   65                                                 
CONECT   35   36   29   25                                            
CONECT   36   41   41   37   35                                       
CONECT   37   38   38   36   66                                       
CONECT   38   39   37   37   67                                       
CONECT   39   40   40   38   68                                       
CONECT   40   39   39   41   69                                       
CONECT   41   40   36   36   70                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   40                                                      
CONECT   70   41                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
