COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.015  -5.092   1.449  1.00  0.00           C  
HETATM    2  C   UNL     1       0.694  -4.587   2.650  1.00  0.00           C  
HETATM    3  C   UNL     1       0.986  -2.897   4.430  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.293   0.636   4.187  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.003   1.723   3.480  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.988   2.860   3.376  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.143   3.249   1.906  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.256   0.799   1.429  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.167  -6.235  -0.076  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.686  -4.913  -0.327  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.367  -1.757  -2.810  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.556  -1.077  -1.721  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.952   0.187  -2.074  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.052   0.205  -3.426  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.693  -1.011  -3.866  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.977  -4.397   0.901  1.00  0.00           C  
HETATM   17  C   UNL     1       0.442  -6.406   0.841  1.00  0.00           C  
HETATM   18  C   UNL     1       0.312  -3.437   3.191  1.00  0.00           C  
HETATM   19  N   UNL     1       0.275  -1.659   4.818  1.00  0.00           N  
HETATM   20  C   UNL     1       0.605  -0.527   4.138  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.472   4.060   4.172  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.601   2.121   1.024  1.00  0.00           C  
HETATM   23  C   UNL     1       0.914   2.016   1.204  1.00  0.00           C  
HETATM   24  O   UNL     1       1.533   1.709  -0.073  1.00  0.00           O  
HETATM   25  C   UNL     1       2.874   1.583  -0.088  1.00  0.00           C  
HETATM   26  N   UNL     1       3.511   1.298  -1.241  1.00  0.00           N  
HETATM   27  C   UNL     1       4.885   1.054  -1.237  1.00  0.00           C  
HETATM   28  C   UNL     1       5.541   0.878  -2.437  1.00  0.00           C  
HETATM   29  C   UNL     1       6.924   0.633  -2.417  1.00  0.00           C  
HETATM   30  C   UNL     1       7.666   0.444  -3.592  1.00  0.00           C  
HETATM   31  C   UNL     1       9.006   0.211  -3.509  1.00  0.00           C  
HETATM   32  C   UNL     1       9.650   0.156  -2.274  1.00  0.00           C  
HETATM   33  C   UNL     1       8.961   0.335  -1.113  1.00  0.00           C  
HETATM   34  C   UNL     1       7.579   0.578  -1.158  1.00  0.00           C  
HETATM   35  C   UNL     1       6.821   0.770   0.008  1.00  0.00           C  
HETATM   36  N   UNL     1       5.532   1.000  -0.076  1.00  0.00           N  
HETATM   37  O   UNL     1       3.509   1.724   0.938  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.539   3.479   1.587  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.973   3.082   0.389  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.346   3.409  -0.134  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.359   4.851  -0.666  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.192   4.708  -2.190  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.367   3.219  -2.510  1.00  0.00           C  
HETATM   44  N   UNL     1      -4.663   2.520  -1.256  1.00  0.00           N  
HETATM   45  C   UNL     1      -5.138   1.281  -1.129  1.00  0.00           C  
HETATM   46  O   UNL     1      -5.788   1.041  -0.130  1.00  0.00           O  
HETATM   47  O   UNL     1      -2.230   2.431  -0.307  1.00  0.00           O  
HETATM   48  O   UNL     1       1.635  -0.478   3.493  1.00  0.00           O  
HETATM   49  C   UNL     1      -2.862  -4.003  -0.677  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.602  -3.270  -1.988  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.879  -3.188  -2.829  1.00  0.00           C  
HETATM   52  F   UNL     1      -1.619  -3.955  -2.711  1.00  0.00           F  
HETATM   53  H   UNL     1       1.503  -5.150   3.092  1.00  0.00           H  
HETATM   54  H   UNL     1       0.923  -3.628   5.235  1.00  0.00           H  
HETATM   55  H   UNL     1       2.031  -2.672   4.214  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.183   0.600   4.798  1.00  0.00           H  
HETATM   57  H   UNL     1       0.930   1.762   2.938  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.953   2.544   3.773  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.574   4.159   1.712  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.151   0.656   2.504  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.313   0.822   1.167  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.769  -0.023   0.904  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.690  -6.607  -0.799  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.987  -4.938  -1.164  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.363   1.041  -4.035  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.273  -3.453   1.334  1.00  0.00           H  
HETATM   67  H   UNL     1       1.137  -6.219   0.022  1.00  0.00           H  
HETATM   68  H   UNL     1       0.932  -7.015   1.601  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.433  -6.933   0.462  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.491  -2.873   2.739  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.393  -1.655   5.521  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.181   4.884   4.087  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.363   3.781   5.220  1.00  0.00           H  
HETATM   74  H   UNL     1       0.495   4.371   3.776  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.829   2.335  -0.020  1.00  0.00           H  
HETATM   76  H   UNL     1       1.303   2.964   1.578  1.00  0.00           H  
HETATM   77  H   UNL     1       1.142   1.224   1.918  1.00  0.00           H  
HETATM   78  H   UNL     1       3.014   1.264  -2.074  1.00  0.00           H  
HETATM   79  H   UNL     1       5.003   0.928  -3.373  1.00  0.00           H  
HETATM   80  H   UNL     1       7.180   0.484  -4.555  1.00  0.00           H  
HETATM   81  H   UNL     1       9.577   0.065  -4.414  1.00  0.00           H  
HETATM   82  H   UNL     1      10.713  -0.032  -2.238  1.00  0.00           H  
HETATM   83  H   UNL     1       9.475   0.289  -0.164  1.00  0.00           H  
HETATM   84  H   UNL     1       7.300   0.732   0.975  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.082   3.269   0.655  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.307   5.334  -0.432  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.529   5.418  -0.245  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.953   5.293  -2.706  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.198   5.041  -2.490  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.192   3.086  -3.210  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.448   2.824  -2.944  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.766  -4.605  -0.774  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.001  -3.273   0.121  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.250  -2.262  -1.772  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.641  -3.842  -2.405  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.664  -3.490  -3.854  1.00  0.00           H  
CONECT    1   17    2   16   16                                       
CONECT    2   18   18    1   53                                       
CONECT    3   19   18   54   55                                       
CONECT    4    5    5   20   56                                       
CONECT    5    6    4    4   57                                       
CONECT    6   21    7    5   58                                       
CONECT    7   22    6   38   59                                       
CONECT    8   22   60   61   62                                       
CONECT    9   10   63                                                 
CONECT   10   16   49    9   64                                       
CONECT   11   12   12   15   51                                       
CONECT   12   13   11   11                                            
CONECT   13   45   14   14   12                                       
CONECT   14   13   13   15   65                                       
CONECT   15   14   11                                                 
CONECT   16    1    1   10   66                                       
CONECT   17    1   67   68   69                                       
CONECT   18    3    2    2   70                                       
CONECT   19   20    3   71                                            
CONECT   20    4   19   48   48                                       
CONECT   21    6   72   73   74                                       
CONECT   22    8   23    7   75                                       
CONECT   23   24   22   76   77                                       
CONECT   24   25   23                                                 
CONECT   25   37   37   24   26                                       
CONECT   26   25   27   78                                            
CONECT   27   26   28   28   36                                       
CONECT   28   27   27   29   79                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   80                                       
CONECT   31   30   32   32   81                                       
CONECT   32   31   31   33   82                                       
CONECT   33   34   34   32   83                                       
CONECT   34   29   35   33   33                                       
CONECT   35   36   36   34   84                                       
CONECT   36   27   35   35                                            
CONECT   37   25   25                                                 
CONECT   38    7   39                                                 
CONECT   39   38   40   47   47                                       
CONECT   40   39   41   44   85                                       
CONECT   41   40   42   86   87                                       
CONECT   42   41   43   88   89                                       
CONECT   43   42   44   90   91                                       
CONECT   44   40   45   43                                            
CONECT   45   46   46   44   13                                       
CONECT   46   45   45                                                 
CONECT   47   39   39                                                 
CONECT   48   20   20                                                 
CONECT   49   50   10   92   93                                       
CONECT   50   52   51   49   94                                       
CONECT   51   11   50   95   96                                       
CONECT   52   50                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   14                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   26                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   35                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   49                                                      
CONECT   93   49                                                      
CONECT   94   50                                                      
CONECT   95   51                                                      
CONECT   96   51                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
