COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.652   2.830   1.274  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.263   2.029   0.451  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.250   1.350  -0.463  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.530   2.082  -0.472  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.669   3.421  -0.417  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.038   4.042  -0.524  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.605   4.270   0.879  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.935   5.381  -1.257  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.692   4.127  -0.282  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.629   1.109  -0.550  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.995  -0.299  -0.565  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.785  -1.231   0.243  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.828  -1.883  -0.307  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.640  -2.842   0.524  1.00  0.00           C  
HETATM   15  N   UNL     1      -9.925  -3.156  -0.153  1.00  0.00           N  
HETATM   16  C   UNL     1     -10.347  -4.448   0.446  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.041  -5.258   0.586  1.00  0.00           C  
HETATM   18  F   UNL     1      -8.868  -6.097  -0.520  1.00  0.00           F  
HETATM   19  C   UNL     1      -7.918  -4.202   0.637  1.00  0.00           C  
HETATM   20  O   UNL     1      -8.114  -1.697  -1.471  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.600  -0.060   0.075  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.949   1.750   0.350  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.988   2.415   1.235  1.00  0.00           C  
HETATM   24  C   UNL     1       0.403   1.931   0.920  1.00  0.00           C  
HETATM   25  C   UNL     1       1.166   2.595  -0.026  1.00  0.00           C  
HETATM   26  C   UNL     1       2.440   2.158  -0.319  1.00  0.00           C  
HETATM   27  C   UNL     1       2.962   1.042   0.341  1.00  0.00           C  
HETATM   28  C   UNL     1       4.285   0.582   0.041  1.00  0.00           C  
HETATM   29  C   UNL     1       5.369   0.205  -0.204  1.00  0.00           C  
HETATM   30  C   UNL     1       6.692  -0.255  -0.503  1.00  0.00           C  
HETATM   31  C   UNL     1       7.469   0.414  -1.453  1.00  0.00           C  
HETATM   32  C   UNL     1       8.743  -0.034  -1.735  1.00  0.00           C  
HETATM   33  C   UNL     1       9.251  -1.143  -1.081  1.00  0.00           C  
HETATM   34  C   UNL     1      10.643  -1.627  -1.396  1.00  0.00           C  
HETATM   35  N   UNL     1      11.604  -0.964  -0.504  1.00  0.00           N  
HETATM   36  C   UNL     1      12.986  -1.226  -0.932  1.00  0.00           C  
HETATM   37  C   UNL     1      13.951  -0.471  -0.014  1.00  0.00           C  
HETATM   38  O   UNL     1      13.719  -0.866   1.341  1.00  0.00           O  
HETATM   39  C   UNL     1      12.383  -0.625   1.791  1.00  0.00           C  
HETATM   40  C   UNL     1      11.403  -1.382   0.891  1.00  0.00           C  
HETATM   41  C   UNL     1       8.487  -1.810  -0.140  1.00  0.00           C  
HETATM   42  C   UNL     1       7.213  -1.370   0.157  1.00  0.00           C  
HETATM   43  C   UNL     1       2.187   0.377   1.295  1.00  0.00           C  
HETATM   44  C   UNL     1       0.915   0.829   1.582  1.00  0.00           C  
HETATM   45  H   UNL     1      -3.845   1.281  -1.473  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.697   3.374  -1.078  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.628   4.639   0.802  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.599   3.330   1.431  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.993   5.003   1.403  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.531   5.218  -2.256  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.926   5.829  -1.334  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.276   6.049  -0.702  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.279   1.213   0.318  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.202   1.269  -1.464  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.892  -0.664  -1.587  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.556  -1.380   1.174  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.823  -2.425   1.515  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.610  -2.436   0.019  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.799  -4.283   1.424  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.045  -4.963  -0.214  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.054  -5.843   1.505  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.232  -4.337  -0.199  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.380  -4.267   1.583  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.881  -0.803  -0.270  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.665  -0.057   1.163  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.638   1.109  -0.308  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.041   3.493   1.083  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.228   2.182   2.272  1.00  0.00           H  
HETATM   69  H   UNL     1       0.761   3.457  -0.535  1.00  0.00           H  
HETATM   70  H   UNL     1       3.033   2.676  -1.058  1.00  0.00           H  
HETATM   71  H   UNL     1       7.074   1.279  -1.964  1.00  0.00           H  
HETATM   72  H   UNL     1       9.345   0.481  -2.469  1.00  0.00           H  
HETATM   73  H   UNL     1      10.695  -2.705  -1.249  1.00  0.00           H  
HETATM   74  H   UNL     1      10.884  -1.389  -2.432  1.00  0.00           H  
HETATM   75  H   UNL     1      13.189  -2.295  -0.873  1.00  0.00           H  
HETATM   76  H   UNL     1      13.120  -0.886  -1.959  1.00  0.00           H  
HETATM   77  H   UNL     1      14.978  -0.707  -0.292  1.00  0.00           H  
HETATM   78  H   UNL     1      13.784   0.602  -0.114  1.00  0.00           H  
HETATM   79  H   UNL     1      12.277  -0.973   2.818  1.00  0.00           H  
HETATM   80  H   UNL     1      12.171   0.443   1.744  1.00  0.00           H  
HETATM   81  H   UNL     1      10.381  -1.156   1.195  1.00  0.00           H  
HETATM   82  H   UNL     1      11.581  -2.454   0.979  1.00  0.00           H  
HETATM   83  H   UNL     1       8.890  -2.674   0.367  1.00  0.00           H  
HETATM   84  H   UNL     1       6.620  -1.889   0.895  1.00  0.00           H  
HETATM   85  H   UNL     1       2.583  -0.486   1.809  1.00  0.00           H  
HETATM   86  H   UNL     1       0.317   0.319   2.322  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   22                                       
CONECT    3   21    4    2   45                                       
CONECT    4   10    3    5                                            
CONECT    5    4    9    9    6                                       
CONECT    6    5    8    7   46                                       
CONECT    7    6   47   48   49                                       
CONECT    8    6   50   51   52                                       
CONECT    9    5    5                                                 
CONECT   10   11    4   53   54                                       
CONECT   11   12   10   21   55                                       
CONECT   12   13   11   56                                            
CONECT   13   14   20   20   12                                       
CONECT   14   15   13   19   57                                       
CONECT   15   14   16   58                                            
CONECT   16   15   17   59   60                                       
CONECT   17   16   19   18   61                                       
CONECT   18   17                                                      
CONECT   19   14   17   62   63                                       
CONECT   20   13   13                                                 
CONECT   21   11    3   64   65                                       
CONECT   22    2   23   66                                            
CONECT   23   22   24   67   68                                       
CONECT   24   23   44   44   25                                       
CONECT   25   24   26   26   69                                       
CONECT   26   25   25   27   70                                       
CONECT   27   43   43   26   28                                       
CONECT   28   27   29   29   29                                       
CONECT   29   28   28   28   30                                       
CONECT   30   29   31   31   42                                       
CONECT   31   30   30   32   71                                       
CONECT   32   31   33   33   72                                       
CONECT   33   32   32   41   34                                       
CONECT   34   33   35   73   74                                       
CONECT   35   34   40   36                                            
CONECT   36   35   37   75   76                                       
CONECT   37   36   38   77   78                                       
CONECT   38   39   37                                                 
CONECT   39   40   38   79   80                                       
CONECT   40   35   39   81   82                                       
CONECT   41   42   42   33   83                                       
CONECT   42   30   41   41   84                                       
CONECT   43   44   27   27   85                                       
CONECT   44   24   24   43   86                                       
CONECT   45    3                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
