COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.327  -0.622   0.674  1.00  0.00           C  
HETATM    2  C   UNL     1      10.366   0.256   0.033  1.00  0.00           C  
HETATM    3  C   UNL     1      10.034   1.327  -0.683  1.00  0.00           C  
HETATM    4  O   UNL     1      11.002   2.102  -1.241  1.00  0.00           O  
HETATM    5  C   UNL     1      12.357   1.706  -1.019  1.00  0.00           C  
HETATM    6  C   UNL     1       8.609   1.674  -0.870  1.00  0.00           C  
HETATM    7  O   UNL     1       8.268   2.540  -1.651  1.00  0.00           O  
HETATM    8  O   UNL     1       7.696   0.987  -0.137  1.00  0.00           O  
HETATM    9  C   UNL     1       7.975  -0.440  -0.019  1.00  0.00           C  
HETATM   10  C   UNL     1       6.879  -1.110   0.812  1.00  0.00           C  
HETATM   11  C   UNL     1       6.745  -0.389   2.155  1.00  0.00           C  
HETATM   12  C   UNL     1       5.570  -1.036   0.069  1.00  0.00           C  
HETATM   13  C   UNL     1       4.980  -2.155  -0.357  1.00  0.00           C  
HETATM   14  C   UNL     1       5.568  -3.498  -0.005  1.00  0.00           C  
HETATM   15  C   UNL     1       3.764  -2.079  -1.164  1.00  0.00           C  
HETATM   16  C   UNL     1       2.672  -1.431  -0.687  1.00  0.00           C  
HETATM   17  C   UNL     1       2.731  -0.776   0.561  1.00  0.00           C  
HETATM   18  C   UNL     1       1.607  -0.235   1.096  1.00  0.00           C  
HETATM   19  C   UNL     1       0.344  -0.508   0.517  1.00  0.00           C  
HETATM   20  O   UNL     1       0.250  -1.324  -0.381  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.754   0.135   0.961  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.061  -0.148   0.362  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.681  -1.370   1.044  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.989  -1.738   0.340  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.708  -2.548   0.961  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.965  -1.045   2.512  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.967   1.043   0.546  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.601   1.985   1.217  1.00  0.00           O  
HETATM   29  N   UNL     1      -4.182   1.061  -0.036  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.045   2.131   0.188  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.270   2.103  -0.300  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.696   0.974  -1.203  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.878   0.235  -0.571  1.00  0.00           C  
HETATM   34  O   UNL     1      -9.024   1.124  -0.501  1.00  0.00           O  
HETATM   35  C   UNL     1      -9.155   1.865   0.615  1.00  0.00           C  
HETATM   36  O   UNL     1      -8.334   1.771   1.507  1.00  0.00           O  
HETATM   37  N   UNL     1     -10.196   2.711   0.744  1.00  0.00           N  
HETATM   38  C   UNL     1      -8.231  -0.985  -1.425  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.312  -1.781  -0.740  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.423  -2.058  -1.376  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.621  -1.581  -2.792  1.00  0.00           C  
HETATM   42  H   UNL     1       9.636  -1.664   0.593  1.00  0.00           H  
HETATM   43  H   UNL     1       9.232  -0.354   1.726  1.00  0.00           H  
HETATM   44  H   UNL     1      11.411   0.010   0.157  1.00  0.00           H  
HETATM   45  H   UNL     1      12.564   1.704   0.052  1.00  0.00           H  
HETATM   46  H   UNL     1      12.515   0.706  -1.421  1.00  0.00           H  
HETATM   47  H   UNL     1      13.027   2.407  -1.517  1.00  0.00           H  
HETATM   48  H   UNL     1       8.010  -0.888  -1.012  1.00  0.00           H  
HETATM   49  H   UNL     1       7.141  -2.154   0.984  1.00  0.00           H  
HETATM   50  H   UNL     1       5.964  -0.866   2.747  1.00  0.00           H  
HETATM   51  H   UNL     1       7.692  -0.442   2.692  1.00  0.00           H  
HETATM   52  H   UNL     1       6.483   0.655   1.983  1.00  0.00           H  
HETATM   53  H   UNL     1       5.109  -0.077  -0.119  1.00  0.00           H  
HETATM   54  H   UNL     1       5.515  -3.646   1.074  1.00  0.00           H  
HETATM   55  H   UNL     1       5.004  -4.284  -0.507  1.00  0.00           H  
HETATM   56  H   UNL     1       6.608  -3.534  -0.326  1.00  0.00           H  
HETATM   57  H   UNL     1       3.735  -2.539  -2.141  1.00  0.00           H  
HETATM   58  H   UNL     1       1.758  -1.418  -1.262  1.00  0.00           H  
HETATM   59  H   UNL     1       3.670  -0.705   1.090  1.00  0.00           H  
HETATM   60  H   UNL     1       1.676   0.405   1.964  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.680   0.785   1.677  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.937  -0.349  -0.702  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.678  -0.895   0.391  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.785  -1.977  -0.703  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.435  -2.602   0.831  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.149  -3.418   1.447  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.505  -2.779  -0.084  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.776  -2.285   1.463  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.658  -0.206   2.570  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.407  -1.915   2.997  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.034  -0.783   3.013  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.711   2.983   0.762  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.968   2.890  -0.053  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.995   1.376  -2.171  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.865   0.283  -1.337  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.608  -0.090   0.433  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.851   2.786   0.033  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.290   3.245   1.548  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.585  -0.655  -2.401  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.345  -1.608  -1.551  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.170  -2.123   0.275  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.198  -2.629  -0.885  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.842  -2.000  -3.428  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.597  -1.905  -3.151  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.566  -0.493  -2.819  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.456   0.329  -0.610  1.00  0.00           H  
CONECT    1    2    9   42   43                                       
CONECT    2    3    3    1   44                                       
CONECT    3    4    2    2    6                                       
CONECT    4    5    3                                                 
CONECT    5    4   45   46   47                                       
CONECT    6    3    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9                                                 
CONECT    9    1    8   10   48                                       
CONECT   10    9   12   11   49                                       
CONECT   11   10   50   51   52                                       
CONECT   12   10   13   13   53                                       
CONECT   13   15   12   12   14                                       
CONECT   14   13   54   55   56                                       
CONECT   15   16   16   13   57                                       
CONECT   16   15   15   17   58                                       
CONECT   17   16   18   18   59                                       
CONECT   18   19   17   17   60                                       
CONECT   19   20   20   21   18                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   61                                            
CONECT   22   23   21   27   62                                       
CONECT   23   25   24   26   22                                       
CONECT   24   23   63   64   65                                       
CONECT   25   23   66   67   68                                       
CONECT   26   23   69   70   71                                       
CONECT   27   22   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   86                                            
CONECT   30   29   31   31   72                                       
CONECT   31   30   30   32   73                                       
CONECT   32   31   33   74   75                                       
CONECT   33   32   38   34   76                                       
CONECT   34   33   35                                                 
CONECT   35   34   37   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   35   77   78                                            
CONECT   38   33   39   79   80                                       
CONECT   39   38   40   40   81                                       
CONECT   40   41   39   39   82                                       
CONECT   41   40   83   84   85                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   29                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
