COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       5.906   3.908  -2.235  1.00  0.00           C  
HETATM    2  C   UNL     1       5.958   2.916  -1.071  1.00  0.00           C  
HETATM    3  C   UNL     1       7.212   3.177  -0.234  1.00  0.00           C  
HETATM    4  N   UNL     1       4.768   3.084  -0.233  1.00  0.00           N  
HETATM    5  C   UNL     1       4.379   2.091   0.591  1.00  0.00           C  
HETATM    6  O   UNL     1       5.062   1.096   0.707  1.00  0.00           O  
HETATM    7  C   UNL     1       3.094   2.218   1.369  1.00  0.00           C  
HETATM    8  C   UNL     1       1.940   2.499   0.405  1.00  0.00           C  
HETATM    9  C   UNL     1       0.636   2.627   1.194  1.00  0.00           C  
HETATM   10  C   UNL     1       2.823   0.914   2.122  1.00  0.00           C  
HETATM   11  C   UNL     1       1.519   1.042   2.912  1.00  0.00           C  
HETATM   12  C   UNL     1       0.365   1.323   1.948  1.00  0.00           C  
HETATM   13  N   UNL     1       0.249   0.221   0.990  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.868  -0.588   0.809  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.119  -0.623   1.410  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.047  -1.564   1.012  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.404  -1.602   1.664  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.329  -0.734   0.922  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.588  -0.558   1.656  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.465   0.463   0.928  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.570  -1.256  -0.429  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.417  -0.256  -1.219  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.746  -0.034  -0.493  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.572   1.011  -1.246  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.844   1.324  -0.454  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.748   2.289  -1.413  1.00  0.00           C  
HETATM   27  O   UNL     1      -8.926   0.501  -2.533  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.736  -2.474   0.014  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.494  -2.447  -0.589  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.554  -1.505  -0.196  1.00  0.00           C  
HETATM   31  N   UNL     1       0.748  -1.235  -0.606  1.00  0.00           N  
HETATM   32  C   UNL     1       1.214  -0.184   0.120  1.00  0.00           C  
HETATM   33  N   UNL     1       2.419   0.359   0.001  1.00  0.00           N  
HETATM   34  C   UNL     1       3.249  -0.058  -0.962  1.00  0.00           C  
HETATM   35  O   UNL     1       3.358   0.584  -1.993  1.00  0.00           O  
HETATM   36  C   UNL     1       4.035  -1.298  -0.776  1.00  0.00           C  
HETATM   37  C   UNL     1       3.831  -2.093   0.353  1.00  0.00           C  
HETATM   38  C   UNL     1       4.565  -3.248   0.521  1.00  0.00           C  
HETATM   39  C   UNL     1       5.504  -3.620  -0.428  1.00  0.00           C  
HETATM   40  F   UNL     1       6.221  -4.752  -0.258  1.00  0.00           F  
HETATM   41  C   UNL     1       5.710  -2.834  -1.551  1.00  0.00           C  
HETATM   42  C   UNL     1       4.977  -1.680  -1.732  1.00  0.00           C  
HETATM   43  H   UNL     1       6.792   3.783  -2.858  1.00  0.00           H  
HETATM   44  H   UNL     1       5.013   3.722  -2.831  1.00  0.00           H  
HETATM   45  H   UNL     1       5.878   4.925  -1.844  1.00  0.00           H  
HETATM   46  H   UNL     1       5.987   1.899  -1.461  1.00  0.00           H  
HETATM   47  H   UNL     1       7.227   4.220   0.083  1.00  0.00           H  
HETATM   48  H   UNL     1       7.204   2.530   0.644  1.00  0.00           H  
HETATM   49  H   UNL     1       8.099   2.966  -0.832  1.00  0.00           H  
HETATM   50  H   UNL     1       4.261   3.910  -0.271  1.00  0.00           H  
HETATM   51  H   UNL     1       3.180   3.038   2.082  1.00  0.00           H  
HETATM   52  H   UNL     1       2.133   3.428  -0.132  1.00  0.00           H  
HETATM   53  H   UNL     1       1.854   1.679  -0.308  1.00  0.00           H  
HETATM   54  H   UNL     1       0.722   3.447   1.907  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.187   2.828   0.507  1.00  0.00           H  
HETATM   56  H   UNL     1       2.737   0.094   1.410  1.00  0.00           H  
HETATM   57  H   UNL     1       3.646   0.714   2.809  1.00  0.00           H  
HETATM   58  H   UNL     1       1.326   0.113   3.448  1.00  0.00           H  
HETATM   59  H   UNL     1       1.605   1.863   3.625  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.564   1.415   2.510  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.365   0.084   2.188  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.782  -2.625   1.658  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.323  -1.251   2.693  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.112  -1.512   1.713  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.375  -0.200   2.663  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.407   0.583   1.464  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.948   1.422   0.883  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.617  -1.406  -0.936  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.099  -2.207  -0.362  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.883   0.691  -1.299  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.609  -0.650  -2.217  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.298  -0.973  -0.448  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.573   1.713   0.527  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.432   2.068  -0.991  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.431   0.413  -0.335  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.843   2.066  -1.977  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.337   3.033  -1.950  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.478   2.678  -0.431  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.168   0.280  -3.091  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.467  -3.207  -0.292  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.255  -3.159  -1.366  1.00  0.00           H  
HETATM   82  H   UNL     1       3.100  -1.804   1.093  1.00  0.00           H  
HETATM   83  H   UNL     1       4.409  -3.864   1.395  1.00  0.00           H  
HETATM   84  H   UNL     1       6.443  -3.128  -2.288  1.00  0.00           H  
HETATM   85  H   UNL     1       5.135  -1.071  -2.609  1.00  0.00           H  
HETATM   86  H   UNL     1       1.237  -1.712  -1.294  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    4    1    3   46                                       
CONECT    3    2   47   48   49                                       
CONECT    4    5    2   50                                            
CONECT    5    7    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7    8   10    5   51                                       
CONECT    8    9    7   52   53                                       
CONECT    9    8   12   54   55                                       
CONECT   10    7   11   56   57                                       
CONECT   11   12   10   58   59                                       
CONECT   12    9   13   11   60                                       
CONECT   13   12   14   32                                            
CONECT   14   15   13   30   30                                       
CONECT   15   16   16   14   61                                       
CONECT   16   17   15   15   28                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   21   19                                            
CONECT   19   18   20   64   65                                       
CONECT   20   19   23   66   67                                       
CONECT   21   18   22   68   69                                       
CONECT   22   21   23   70   71                                       
CONECT   23   22   20   24   72                                       
CONECT   24   23   27   25   26                                       
CONECT   25   24   73   74   75                                       
CONECT   26   24   76   77   78                                       
CONECT   27   24   79                                                 
CONECT   28   16   29   29   80                                       
CONECT   29   28   28   30   81                                       
CONECT   30   14   14   29   31                                       
CONECT   31   30   32   86                                            
CONECT   32   13   31   33   33                                       
CONECT   33   32   32   34                                            
CONECT   34   33   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   37   42                                       
CONECT   37   36   36   38   82                                       
CONECT   38   37   39   39   83                                       
CONECT   39   38   38   41   40                                       
CONECT   40   39                                                      
CONECT   41   42   42   39   84                                       
CONECT   42   36   41   41   85                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   31                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
