COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.786   1.248   0.444  1.00  0.00           C  
HETATM    2  C   UNL     1       4.661   2.781  -1.492  1.00  0.00           C  
HETATM    3  C   UNL     1       4.195   4.244  -1.696  1.00  0.00           C  
HETATM    4  C   UNL     1       3.348   4.573  -0.447  1.00  0.00           C  
HETATM    5  C   UNL     1       3.328   3.252   0.375  1.00  0.00           C  
HETATM    6  C   UNL     1       2.112   2.463  -0.126  1.00  0.00           C  
HETATM    7  C   UNL     1       3.505   0.461   0.347  1.00  0.00           C  
HETATM    8  C   UNL     1       3.335  -0.882   0.483  1.00  0.00           C  
HETATM    9  C   UNL     1       1.960  -1.149   0.328  1.00  0.00           C  
HETATM   10  C   UNL     1       1.340   0.049   0.098  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.097   0.250  -0.115  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.936   1.681  -0.568  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.676   2.949  -1.411  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.616   2.144  -0.806  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.189   1.048  -0.048  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.817   0.819   0.068  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.168   0.156   0.619  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.015   0.445   1.652  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.472  -1.257   0.326  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.853  -2.115  -0.713  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.530  -1.581  -1.959  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.949  -2.381  -2.921  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.687  -3.715  -2.649  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.006  -4.250  -1.412  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.587  -3.457  -0.444  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.148   1.766   2.365  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.580   2.284   2.216  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.826   1.579   3.849  1.00  0.00           C  
HETATM   29  C   UNL     1       4.402  -1.881   0.744  1.00  0.00           C  
HETATM   30  C   UNL     1       4.251  -2.810   1.772  1.00  0.00           C  
HETATM   31  C   UNL     1       5.243  -3.737   2.012  1.00  0.00           C  
HETATM   32  C   UNL     1       6.391  -3.746   1.232  1.00  0.00           C  
HETATM   33  C   UNL     1       8.522  -4.613   0.631  1.00  0.00           C  
HETATM   34  C   UNL     1       6.544  -2.822   0.208  1.00  0.00           C  
HETATM   35  C   UNL     1       5.552  -1.896  -0.041  1.00  0.00           C  
HETATM   36  F   UNL     1      -3.118  -4.495  -3.594  1.00  0.00           F  
HETATM   37  N   UNL     1       4.587   2.599  -0.033  1.00  0.00           N  
HETATM   38  N   UNL     1       2.301   1.031   0.102  1.00  0.00           N  
HETATM   39  N   UNL     1      -0.564   1.466  -0.462  1.00  0.00           N  
HETATM   40  N   UNL     1      -2.386   2.704  -1.281  1.00  0.00           N  
HETATM   41  N   UNL     1      -6.407  -1.592   1.181  1.00  0.00           N  
HETATM   42  O   UNL     1       5.322   5.118  -1.776  1.00  0.00           O  
HETATM   43  O   UNL     1       3.959   5.622   0.307  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.868  -0.682   0.021  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.703  -0.674   1.908  1.00  0.00           O  
HETATM   46  O   UNL     1       7.367  -4.661   1.472  1.00  0.00           O  
HETATM   47  H   UNL     1       5.112   1.278   1.483  1.00  0.00           H  
HETATM   48  H   UNL     1       5.552   0.763  -0.160  1.00  0.00           H  
HETATM   49  H   UNL     1       3.990   2.089  -2.000  1.00  0.00           H  
HETATM   50  H   UNL     1       5.685   2.650  -1.843  1.00  0.00           H  
HETATM   51  H   UNL     1       3.588   4.326  -2.598  1.00  0.00           H  
HETATM   52  H   UNL     1       2.336   4.855  -0.737  1.00  0.00           H  
HETATM   53  H   UNL     1       3.291   3.435   1.449  1.00  0.00           H  
HETATM   54  H   UNL     1       1.222   2.798   0.406  1.00  0.00           H  
HETATM   55  H   UNL     1       1.982   2.643  -1.194  1.00  0.00           H  
HETATM   56  H   UNL     1       1.485  -2.117   0.381  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.999   3.794  -2.002  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.670   2.353  -0.919  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.447  -0.017   0.644  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.735  -0.542  -2.172  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.698  -1.968  -3.887  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.801  -5.290  -1.205  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.832  -3.874   0.521  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.454   2.485   1.931  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.274   1.565   2.651  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.676   3.239   2.731  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.809   2.417   1.158  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.806   1.210   3.956  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.922   2.534   4.365  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.520   0.860   4.284  1.00  0.00           H  
HETATM   71  H   UNL     1       3.358  -2.803   2.380  1.00  0.00           H  
HETATM   72  H   UNL     1       5.127  -4.458   2.809  1.00  0.00           H  
HETATM   73  H   UNL     1       8.223  -4.768  -0.405  1.00  0.00           H  
HETATM   74  H   UNL     1       9.002  -3.639   0.728  1.00  0.00           H  
HETATM   75  H   UNL     1       9.221  -5.394   0.929  1.00  0.00           H  
HETATM   76  H   UNL     1       7.438  -2.831  -0.398  1.00  0.00           H  
HETATM   77  H   UNL     1       5.670  -1.180  -0.841  1.00  0.00           H  
HETATM   78  H   UNL     1       0.056   2.191  -0.637  1.00  0.00           H  
HETATM   79  H   UNL     1       5.915   4.930  -2.516  1.00  0.00           H  
HETATM   80  H   UNL     1       4.043   6.456  -0.175  1.00  0.00           H  
CONECT    1    7   37   47   48                                       
CONECT    2   37    3   49   50                                       
CONECT    3    4   42    2   51                                       
CONECT    4   43    5    3   52                                       
CONECT    5    6    4   37   53                                       
CONECT    6   38    5   54   55                                       
CONECT    7   38    8    8    1                                       
CONECT    8    9    7    7   29                                       
CONECT    9   10   10    8   56                                       
CONECT   10   11    9    9   38                                       
CONECT   11   39   44   44   10                                       
CONECT   12   16   16   40   39                                       
CONECT   13   14   40   40   57                                       
CONECT   14   15   15   13   58                                       
CONECT   15   17   14   14   16                                       
CONECT   16   15   12   12   59                                       
CONECT   17   19   18   18   15                                       
CONECT   18   45   17   17   26                                       
CONECT   19   20   41   41   17                                       
CONECT   20   21   21   25   19                                       
CONECT   21   22   20   20   60                                       
CONECT   22   23   23   21   61                                       
CONECT   23   36   22   22   24                                       
CONECT   24   23   25   25   62                                       
CONECT   25   24   24   20   63                                       
CONECT   26   18   27   28   64                                       
CONECT   27   26   65   66   67                                       
CONECT   28   26   68   69   70                                       
CONECT   29    8   35   35   30                                       
CONECT   30   29   31   31   71                                       
CONECT   31   30   30   32   72                                       
CONECT   32   34   34   31   46                                       
CONECT   33   46   73   74   75                                       
CONECT   34   35   32   32   76                                       
CONECT   35   29   29   34   77                                       
CONECT   36   23                                                      
CONECT   37    5    1    2                                            
CONECT   38   10    6    7                                            
CONECT   39   12   11   78                                            
CONECT   40   13   13   12                                            
CONECT   41   19   19   45                                            
CONECT   42    3   79                                                 
CONECT   43    4   80                                                 
CONECT   44   11   11                                                 
CONECT   45   41   18                                                 
CONECT   46   32   33                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    9                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   39                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
