COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.050  -0.077  -1.061  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.878  -1.039  -1.613  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.892  -1.245  -2.981  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.083  -0.489  -3.804  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.242   0.479  -3.253  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.233   0.682  -1.871  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.042   0.140   0.430  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.088   1.195   0.796  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.080   1.413   2.288  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.878   0.672   3.081  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.355   2.255   2.773  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.771   2.454   0.117  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.594   3.067   0.350  1.00  0.00           C  
HETATM   14  O   UNL     1       0.202   2.577   1.122  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.267   4.362  -0.347  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.870   0.883   4.531  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.642   0.234   5.133  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.329  -1.026   4.817  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.944   0.854   5.908  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.163  -1.788   3.873  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.481  -2.146   4.563  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.145  -1.651   5.411  1.00  0.00           C  
HETATM   23  C   UNL     1       1.052  -1.393   4.533  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.493  -1.025   4.411  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.116   0.245   5.150  1.00  0.00           C  
HETATM   26  C   UNL     1       1.375  -2.287   3.528  1.00  0.00           C  
HETATM   27  C   UNL     1       2.468  -2.054   2.718  1.00  0.00           C  
HETATM   28  C   UNL     1       3.252  -0.920   2.921  1.00  0.00           C  
HETATM   29  C   UNL     1       2.925  -0.026   3.938  1.00  0.00           C  
HETATM   30  C   UNL     1       1.827  -0.267   4.739  1.00  0.00           C  
HETATM   31  C   UNL     1       4.432  -0.667   2.057  1.00  0.00           C  
HETATM   32  C   UNL     1       4.716   0.626   1.624  1.00  0.00           C  
HETATM   33  C   UNL     1       5.818   0.857   0.826  1.00  0.00           C  
HETATM   34  C   UNL     1       6.632  -0.193   0.445  1.00  0.00           C  
HETATM   35  C   UNL     1       6.351  -1.480   0.867  1.00  0.00           C  
HETATM   36  C   UNL     1       5.255  -1.722   1.671  1.00  0.00           C  
HETATM   37  C   UNL     1       0.630   1.289  -4.128  1.00  0.00           C  
HETATM   38  O   UNL     1       1.350   2.301  -3.608  1.00  0.00           O  
HETATM   39  O   UNL     1       0.697   1.041  -5.315  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.100  -0.715  -5.294  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.199  -1.685  -5.643  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.087  -2.978  -5.299  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.181  -1.299  -6.232  1.00  0.00           O  
HETATM   44  C   UNL     1       0.226  -1.280  -5.731  1.00  0.00           C  
HETATM   45  O   UNL     1       0.442  -1.563  -7.025  1.00  0.00           O  
HETATM   46  O   UNL     1       1.096  -1.479  -4.916  1.00  0.00           O  
HETATM   47  F   UNL     1      -1.326   0.500  -5.948  1.00  0.00           F  
HETATM   48  C   UNL     1       2.208   3.098  -4.468  1.00  0.00           C  
HETATM   49  H   UNL     1      -2.516  -1.630  -0.974  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.540  -1.997  -3.406  1.00  0.00           H  
HETATM   51  H   UNL     1       0.412   1.431  -1.439  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.056   0.483   0.742  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.278  -0.796   0.935  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.075   0.852   0.485  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.458  -0.001   2.693  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.408   2.845  -0.499  1.00  0.00           H  
HETATM   57  H   UNL     1       0.718   4.705  -0.035  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.273   4.204  -1.426  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.012   5.114  -0.086  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.862   1.952   4.745  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.644  -2.701   3.581  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.366  -1.181   2.991  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.295  -2.319   5.623  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.884  -3.055   4.117  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.307  -2.725   5.498  1.00  0.00           H  
HETATM   66  H   UNL     1       0.031  -1.228   6.400  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.456  -1.373   4.785  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.598  -0.793   3.351  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.915   0.006   6.195  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.945   0.951   5.097  1.00  0.00           H  
HETATM   71  H   UNL     1       0.766  -3.165   3.372  1.00  0.00           H  
HETATM   72  H   UNL     1       2.716  -2.750   1.931  1.00  0.00           H  
HETATM   73  H   UNL     1       3.530   0.853   4.100  1.00  0.00           H  
HETATM   74  H   UNL     1       1.573   0.425   5.527  1.00  0.00           H  
HETATM   75  H   UNL     1       4.081   1.448   1.921  1.00  0.00           H  
HETATM   76  H   UNL     1       6.042   1.860   0.494  1.00  0.00           H  
HETATM   77  H   UNL     1       7.491  -0.009  -0.183  1.00  0.00           H  
HETATM   78  H   UNL     1       6.990  -2.297   0.567  1.00  0.00           H  
HETATM   79  H   UNL     1       5.037  -2.727   2.000  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.792  -3.600  -5.523  1.00  0.00           H  
HETATM   81  H   UNL     1       1.293  -1.926  -7.306  1.00  0.00           H  
HETATM   82  H   UNL     1       2.707   3.864  -3.874  1.00  0.00           H  
HETATM   83  H   UNL     1       2.955   2.454  -4.933  1.00  0.00           H  
HETATM   84  H   UNL     1       1.606   3.573  -5.242  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   49                                       
CONECT    3    2    4    4   50                                       
CONECT    4    3    3    5   40                                       
CONECT    5    4    6    6   37                                       
CONECT    6    1    5    5   51                                       
CONECT    7    1    8   52   53                                       
CONECT    8    7    9   12   54                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   16   55                                            
CONECT   11    9    9                                                 
CONECT   12    8   13   56                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   57   58   59                                       
CONECT   16   10   17   25   60                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   20   22                                            
CONECT   19   17   17                                                 
CONECT   20   18   21   61   62                                       
CONECT   21   20   24   63   64                                       
CONECT   22   18   23   65   66                                       
CONECT   23   22   26   26   30                                       
CONECT   24   21   25   67   68                                       
CONECT   25   16   24   69   70                                       
CONECT   26   23   23   27   71                                       
CONECT   27   26   28   28   72                                       
CONECT   28   27   27   29   31                                       
CONECT   29   28   30   30   73                                       
CONECT   30   23   29   29   74                                       
CONECT   31   28   32   36   36                                       
CONECT   32   31   33   33   75                                       
CONECT   33   32   32   34   76                                       
CONECT   34   33   35   35   77                                       
CONECT   35   34   34   36   78                                       
CONECT   36   31   31   35   79                                       
CONECT   37    5   38   39   39                                       
CONECT   38   37   48                                                 
CONECT   39   37   37                                                 
CONECT   40    4   41   44   47                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41   80                                                 
CONECT   43   41   41                                                 
CONECT   44   40   45   46   46                                       
CONECT   45   44   81                                                 
CONECT   46   44   44                                                 
CONECT   47   40                                                      
CONECT   48   38   82   83   84                                       
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   42                                                      
CONECT   81   45                                                      
CONECT   82   48                                                      
CONECT   83   48                                                      
CONECT   84   48                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
