COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.735   1.600  -1.152  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.621   2.030  -1.845  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.382   1.479  -1.583  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.249   0.482  -0.614  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.369   0.044   0.089  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.616   0.605  -0.180  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.810   0.147   0.562  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.661   1.048   1.091  1.00  0.00           N  
HETATM    9  O   UNL     1      -6.024  -1.043   0.695  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.763   0.600   1.946  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.297   0.567   3.403  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.448   0.099   4.297  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.485   2.475   0.811  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.449   2.899  -0.299  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.164   4.350  -0.694  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.757   3.104  -2.893  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.922  -0.108  -0.335  1.00  0.00           C  
HETATM   18  N   UNL     1       0.161   0.316  -1.017  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.807  -0.975   0.509  1.00  0.00           O  
HETATM   20  C   UNL     1       1.475  -0.268  -0.740  1.00  0.00           C  
HETATM   21  C   UNL     1       2.569   0.731  -1.126  1.00  0.00           C  
HETATM   22  C   UNL     1       1.645  -1.550  -1.558  1.00  0.00           C  
HETATM   23  O   UNL     1       2.540   0.947  -2.538  1.00  0.00           O  
HETATM   24  C   UNL     1       0.647  -2.578  -1.092  1.00  0.00           C  
HETATM   25  C   UNL     1       0.978  -3.452  -0.074  1.00  0.00           C  
HETATM   26  C   UNL     1       0.061  -4.397   0.354  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.188  -4.466  -0.238  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.519  -3.591  -1.258  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.602  -2.644  -1.681  1.00  0.00           C  
HETATM   30  F   UNL     1       0.386  -5.251   1.349  1.00  0.00           F  
HETATM   31  F   UNL     1      -2.738  -3.658  -1.837  1.00  0.00           F  
HETATM   32  C   UNL     1       6.159   0.771  -0.034  1.00  0.00           C  
HETATM   33  C   UNL     1       5.356   0.316   1.203  1.00  0.00           C  
HETATM   34  N   UNL     1       3.998  -0.026   0.741  1.00  0.00           N  
HETATM   35  C   UNL     1       5.050   1.202  -1.031  1.00  0.00           C  
HETATM   36  C   UNL     1       3.935   0.172  -0.723  1.00  0.00           C  
HETATM   37  O   UNL     1       7.004   1.876   0.290  1.00  0.00           O  
HETATM   38  C   UNL     1       8.255   1.586   0.737  1.00  0.00           C  
HETATM   39  C   UNL     1       8.650   0.265   0.887  1.00  0.00           C  
HETATM   40  C   UNL     1       9.921  -0.027   1.340  1.00  0.00           C  
HETATM   41  C   UNL     1      10.800   0.996   1.645  1.00  0.00           C  
HETATM   42  C   UNL     1      10.408   2.314   1.497  1.00  0.00           C  
HETATM   43  C   UNL     1       9.140   2.611   1.038  1.00  0.00           C  
HETATM   44  H   UNL     1      -5.700   2.039  -1.358  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.515   1.819  -2.129  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.271  -0.727   0.840  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.602   1.289   1.849  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.076  -0.399   1.642  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.458  -0.123   3.501  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.984   1.565   3.707  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.286   0.788   4.199  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.761  -0.900   3.992  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.116   0.075   5.334  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.693   3.050   1.712  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.459   2.658   0.491  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.312   2.253  -1.166  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.475   2.814   0.058  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.851   4.652  -1.485  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.301   4.996   0.173  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.138   4.435  -1.052  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.622   4.082  -2.431  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.000   2.959  -3.663  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.748   3.049  -3.343  1.00  0.00           H  
HETATM   64  H   UNL     1       0.069   1.009  -1.690  1.00  0.00           H  
HETATM   65  H   UNL     1       1.554  -0.501   0.322  1.00  0.00           H  
HETATM   66  H   UNL     1       2.396   1.676  -0.610  1.00  0.00           H  
HETATM   67  H   UNL     1       1.479  -1.333  -2.613  1.00  0.00           H  
HETATM   68  H   UNL     1       2.655  -1.937  -1.421  1.00  0.00           H  
HETATM   69  H   UNL     1       2.687   0.148  -3.061  1.00  0.00           H  
HETATM   70  H   UNL     1       1.953  -3.397   0.388  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.904  -5.203   0.095  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.862  -1.958  -2.474  1.00  0.00           H  
HETATM   73  H   UNL     1       6.744  -0.054  -0.442  1.00  0.00           H  
HETATM   74  H   UNL     1       5.827  -0.559   1.650  1.00  0.00           H  
HETATM   75  H   UNL     1       5.306   1.126   1.931  1.00  0.00           H  
HETATM   76  H   UNL     1       3.761  -0.976   0.988  1.00  0.00           H  
HETATM   77  H   UNL     1       4.713   2.217  -0.824  1.00  0.00           H  
HETATM   78  H   UNL     1       5.394   1.109  -2.061  1.00  0.00           H  
HETATM   79  H   UNL     1       4.128  -0.766  -1.242  1.00  0.00           H  
HETATM   80  H   UNL     1       7.964  -0.535   0.649  1.00  0.00           H  
HETATM   81  H   UNL     1      10.229  -1.056   1.457  1.00  0.00           H  
HETATM   82  H   UNL     1      11.793   0.766   2.000  1.00  0.00           H  
HETATM   83  H   UNL     1      11.096   3.111   1.737  1.00  0.00           H  
HETATM   84  H   UNL     1       8.836   3.641   0.918  1.00  0.00           H  
CONECT    1    6    2    2   44                                       
CONECT    2    1    1    3   16                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5   17                                       
CONECT    5    4    6    6   46                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   10   13                                            
CONECT    9    7    7                                                 
CONECT   10    8   11   47   48                                       
CONECT   11   10   12   49   50                                       
CONECT   12   11   51   52   53                                       
CONECT   13    8   14   54   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   14   58   59   60                                       
CONECT   16    2   61   62   63                                       
CONECT   17    4   19   19   18                                       
CONECT   18   17   20   64                                            
CONECT   19   17   17                                                 
CONECT   20   18   22   21   65                                       
CONECT   21   20   23   36   66                                       
CONECT   22   20   24   67   68                                       
CONECT   23   21   69                                                 
CONECT   24   22   29   29   25                                       
CONECT   25   24   26   26   70                                       
CONECT   26   25   25   27   30                                       
CONECT   27   26   28   28   71                                       
CONECT   28   27   27   31   29                                       
CONECT   29   24   24   28   72                                       
CONECT   30   26                                                      
CONECT   31   28                                                      
CONECT   32   35   37   33   73                                       
CONECT   33   32   34   74   75                                       
CONECT   34   33   36   76                                            
CONECT   35   32   36   77   78                                       
CONECT   36   21   34   35   79                                       
CONECT   37   32   38                                                 
CONECT   38   37   43   43   39                                       
CONECT   39   38   40   40   80                                       
CONECT   40   39   39   41   81                                       
CONECT   41   40   42   42   82                                       
CONECT   42   41   41   43   83                                       
CONECT   43   38   38   42   84                                       
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
