COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.650   0.911   0.972  1.00  0.00           C  
HETATM    2  C   UNL     1       1.541   0.809   0.181  1.00  0.00           C  
HETATM    3  C   UNL     1       0.865   1.985  -0.210  1.00  0.00           C  
HETATM    4  C   UNL     1       1.325   3.201   0.204  1.00  0.00           C  
HETATM    5  C   UNL     1       3.094   2.189   1.379  1.00  0.00           C  
HETATM    6  N   UNL     1       2.428   3.293   0.990  1.00  0.00           N  
HETATM    7  N   UNL     1       3.336  -0.239   1.380  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.342   1.899  -1.069  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.263   2.234  -2.420  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.387   2.154  -3.218  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.592   1.741  -2.683  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.680   1.405  -1.337  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.555   1.479  -0.530  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.901   0.988  -0.798  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.820   1.980  -0.244  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.264   1.654  -0.617  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.216  -0.322  -0.803  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.568  -0.742  -0.387  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.574   0.219  -0.282  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.838  -0.152   0.120  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.114  -1.479   0.405  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.129  -2.441   0.283  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.857  -2.082  -0.123  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.395  -1.149  -1.148  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.645   1.109   0.928  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.982   2.268   1.693  1.00  0.00           O  
HETATM   27  C   UNL     1       2.901   4.611   1.420  1.00  0.00           C  
HETATM   28  O   UNL     1       4.083   2.293   2.086  1.00  0.00           O  
HETATM   29  C   UNL     1       4.674  -0.413   1.032  1.00  0.00           C  
HETATM   30  C   UNL     1       5.283   0.495   0.171  1.00  0.00           C  
HETATM   31  C   UNL     1       6.613   0.317  -0.164  1.00  0.00           C  
HETATM   32  C   UNL     1       7.295  -0.772   0.377  1.00  0.00           C  
HETATM   33  C   UNL     1       6.622  -1.636   1.229  1.00  0.00           C  
HETATM   34  N   UNL     1       5.352  -1.436   1.527  1.00  0.00           N  
HETATM   35  N   UNL     1       8.642  -0.992   0.065  1.00  0.00           N  
HETATM   36  C   UNL     1       8.836  -1.091  -1.388  1.00  0.00           C  
HETATM   37  C   UNL     1      10.328  -1.250  -1.690  1.00  0.00           C  
HETATM   38  N   UNL     1      10.838  -2.449  -1.010  1.00  0.00           N  
HETATM   39  C   UNL     1      10.643  -2.350   0.443  1.00  0.00           C  
HETATM   40  C   UNL     1       9.151  -2.191   0.745  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.498  -1.876   0.850  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.471  -1.524  -0.197  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.540  -3.385   1.099  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.850  -1.136   2.142  1.00  0.00           C  
HETATM   45  N   UNL     1     -11.221  -1.253  -1.006  1.00  0.00           N  
HETATM   46  C   UNL     1      12.251  -2.680  -1.338  1.00  0.00           C  
HETATM   47  F   UNL     1      -4.898  -3.023  -0.256  1.00  0.00           F  
HETATM   48  H   UNL     1       1.186  -0.159  -0.141  1.00  0.00           H  
HETATM   49  H   UNL     1       0.806   4.099  -0.097  1.00  0.00           H  
HETATM   50  H   UNL     1       2.880  -0.915   1.905  1.00  0.00           H  
HETATM   51  H   UNL     1       0.677   2.557  -2.842  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.324   2.414  -4.265  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.468   1.680  -3.312  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.724   1.990   0.842  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.562   2.965  -0.635  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.937   2.308  -0.062  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.406   1.815  -1.686  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.615   0.593   0.213  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.356  -3.475   0.500  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.415   0.349   1.063  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.685   0.718   1.264  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.057   2.104   2.643  1.00  0.00           H  
HETATM   63  H   UNL     1       3.790   4.494   2.040  1.00  0.00           H  
HETATM   64  H   UNL     1       3.145   5.213   0.545  1.00  0.00           H  
HETATM   65  H   UNL     1       2.119   5.107   1.996  1.00  0.00           H  
HETATM   66  H   UNL     1       4.725   1.327  -0.230  1.00  0.00           H  
HETATM   67  H   UNL     1       7.112   1.005  -0.830  1.00  0.00           H  
HETATM   68  H   UNL     1       7.143  -2.482   1.652  1.00  0.00           H  
HETATM   69  H   UNL     1       8.293  -1.956  -1.769  1.00  0.00           H  
HETATM   70  H   UNL     1       8.462  -0.186  -1.867  1.00  0.00           H  
HETATM   71  H   UNL     1      10.472  -1.353  -2.766  1.00  0.00           H  
HETATM   72  H   UNL     1      10.868  -0.373  -1.333  1.00  0.00           H  
HETATM   73  H   UNL     1      11.017  -3.255   0.922  1.00  0.00           H  
HETATM   74  H   UNL     1      11.186  -1.485   0.824  1.00  0.00           H  
HETATM   75  H   UNL     1       9.008  -2.088   1.821  1.00  0.00           H  
HETATM   76  H   UNL     1       8.612  -3.068   0.388  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.820  -3.646   1.874  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.541  -3.673   1.421  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.289  -3.912   0.178  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.820  -0.061   1.965  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.851  -1.424   2.464  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.130  -1.397   2.918  1.00  0.00           H  
HETATM   83  H   UNL     1      12.842  -1.820  -1.021  1.00  0.00           H  
HETATM   84  H   UNL     1      12.603  -3.573  -0.822  1.00  0.00           H  
HETATM   85  H   UNL     1      12.357  -2.816  -2.414  1.00  0.00           H  
CONECT    1    7    2    2    5                                       
CONECT    2    1    1    3   48                                       
CONECT    3    2    4    4    8                                       
CONECT    4    6    3    3   49                                       
CONECT    5    1   28   28    6                                       
CONECT    6    5    4   27                                            
CONECT    7   29    1   50                                            
CONECT    8    3    9    9   13                                       
CONECT    9    8    8   10   51                                       
CONECT   10    9   11   11   52                                       
CONECT   11   10   10   12   53                                       
CONECT   12   13   13   11   14                                       
CONECT   13    8   25   12   12                                       
CONECT   14   12   15   17                                            
CONECT   15   14   16   54   55                                       
CONECT   16   15   19   56   57                                       
CONECT   17   14   24   24   18                                       
CONECT   18   17   19   19   23                                       
CONECT   19   16   18   18   20                                       
CONECT   20   19   21   21   58                                       
CONECT   21   20   20   22   41                                       
CONECT   22   23   23   21   59                                       
CONECT   23   18   47   22   22                                       
CONECT   24   17   17                                                 
CONECT   25   13   26   60   61                                       
CONECT   26   25   62                                                 
CONECT   27    6   63   64   65                                       
CONECT   28    5    5                                                 
CONECT   29   30   30   34    7                                       
CONECT   30   31   29   29   66                                       
CONECT   31   32   32   30   67                                       
CONECT   32   35   31   31   33                                       
CONECT   33   32   34   34   68                                       
CONECT   34   33   33   29                                            
CONECT   35   36   40   32                                            
CONECT   36   37   35   69   70                                       
CONECT   37   38   36   71   72                                       
CONECT   38   46   37   39                                            
CONECT   39   38   40   73   74                                       
CONECT   40   39   35   75   76                                       
CONECT   41   21   42   44   43                                       
CONECT   42   45   45   45   41                                       
CONECT   43   41   77   78   79                                       
CONECT   44   41   80   81   82                                       
CONECT   45   42   42   42                                            
CONECT   46   38   83   84   85                                       
CONECT   47   23                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
