COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.064   1.587  -0.332  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.984   0.764   0.374  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.754   0.817  -0.396  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.698   0.139   0.092  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.802  -0.480   1.132  1.00  0.00           O  
HETATM    6  N   UNL     1      -5.526   0.148  -0.574  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.347  -0.497   0.010  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.102   0.198  -0.476  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.135   0.861  -1.492  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.309  -1.967  -0.411  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.144  -2.668   0.291  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.412  -2.720   1.796  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.005  -4.092  -0.251  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.952   0.083   0.217  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.769   0.842  -0.197  1.00  0.00           C  
HETATM   16  C   UNL     1       0.475   0.088   0.198  1.00  0.00           C  
HETATM   17  O   UNL     1       0.423  -0.754   1.069  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.775   2.210   0.489  1.00  0.00           C  
HETATM   19  C   UNL     1       0.445   3.014   0.034  1.00  0.00           C  
HETATM   20  C   UNL     1       0.338   3.299  -1.465  1.00  0.00           C  
HETATM   21  C   UNL     1       0.499   4.336   0.802  1.00  0.00           C  
HETATM   22  C   UNL     1       2.830  -0.455  -0.110  1.00  0.00           C  
HETATM   23  N   UNL     1       1.645   0.350  -0.417  1.00  0.00           N  
HETATM   24  C   UNL     1       4.089   0.322  -0.499  1.00  0.00           C  
HETATM   25  O   UNL     1       4.058   0.609  -1.899  1.00  0.00           O  
HETATM   26  C   UNL     1       4.145   1.631   0.290  1.00  0.00           C  
HETATM   27  O   UNL     1       4.177   1.343   1.689  1.00  0.00           O  
HETATM   28  C   UNL     1       5.405   2.408  -0.100  1.00  0.00           C  
HETATM   29  C   UNL     1       5.425   3.749   0.637  1.00  0.00           C  
HETATM   30  C   UNL     1       6.756   4.455   0.374  1.00  0.00           C  
HETATM   31  C   UNL     1       4.275   4.624   0.135  1.00  0.00           C  
HETATM   32  C   UNL     1       2.774  -1.765  -0.899  1.00  0.00           C  
HETATM   33  C   UNL     1       3.963  -2.646  -0.509  1.00  0.00           C  
HETATM   34  C   UNL     1       3.993  -3.887  -1.404  1.00  0.00           C  
HETATM   35  C   UNL     1       3.821  -3.075   0.953  1.00  0.00           C  
HETATM   36  C   UNL     1       5.181  -4.768  -1.014  1.00  0.00           C  
HETATM   37  C   UNL     1       5.009  -3.957   1.343  1.00  0.00           C  
HETATM   38  C   UNL     1       5.039  -5.198   0.448  1.00  0.00           C  
HETATM   39  H   UNL     1      -9.733   2.622  -0.418  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.240   1.178  -1.327  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.987   1.547   0.245  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.809   1.172   1.369  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.315  -0.272   0.459  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.463   0.581  -1.439  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.399  -0.431   1.097  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.245  -2.450  -0.131  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.175  -2.032  -1.490  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.223  -2.117   0.105  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.290  -3.336   1.988  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.548  -3.149   2.305  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.588  -1.711   2.169  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.814  -4.055  -1.324  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.175  -4.592   0.249  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.926  -4.644  -0.065  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.907  -0.502   0.989  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.784   0.978  -1.278  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.685   2.747   0.221  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.739   2.075   1.570  1.00  0.00           H  
HETATM   59  H   UNL     1       1.351   2.442   0.232  1.00  0.00           H  
HETATM   60  H   UNL     1       1.232   3.825  -1.799  1.00  0.00           H  
HETATM   61  H   UNL     1       0.245   2.358  -2.008  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.540   3.916  -1.656  1.00  0.00           H  
HETATM   63  H   UNL     1       0.575   4.133   1.870  1.00  0.00           H  
HETATM   64  H   UNL     1       1.368   4.909   0.478  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.408   4.909   0.605  1.00  0.00           H  
HETATM   66  H   UNL     1       2.854  -0.675   0.957  1.00  0.00           H  
HETATM   67  H   UNL     1       1.703   1.072  -1.062  1.00  0.00           H  
HETATM   68  H   UNL     1       4.971  -0.278  -0.271  1.00  0.00           H  
HETATM   69  H   UNL     1       3.299   1.141  -2.174  1.00  0.00           H  
HETATM   70  H   UNL     1       3.264   2.230   0.062  1.00  0.00           H  
HETATM   71  H   UNL     1       4.936   0.812   1.964  1.00  0.00           H  
HETATM   72  H   UNL     1       6.287   1.830   0.174  1.00  0.00           H  
HETATM   73  H   UNL     1       5.405   2.585  -1.175  1.00  0.00           H  
HETATM   74  H   UNL     1       5.310   3.577   1.707  1.00  0.00           H  
HETATM   75  H   UNL     1       6.832   4.705  -0.684  1.00  0.00           H  
HETATM   76  H   UNL     1       6.807   5.368   0.968  1.00  0.00           H  
HETATM   77  H   UNL     1       7.579   3.795   0.651  1.00  0.00           H  
HETATM   78  H   UNL     1       3.327   4.121   0.323  1.00  0.00           H  
HETATM   79  H   UNL     1       4.290   5.579   0.660  1.00  0.00           H  
HETATM   80  H   UNL     1       4.390   4.796  -0.935  1.00  0.00           H  
HETATM   81  H   UNL     1       1.845  -2.287  -0.672  1.00  0.00           H  
HETATM   82  H   UNL     1       2.818  -1.548  -1.967  1.00  0.00           H  
HETATM   83  H   UNL     1       4.888  -2.085  -0.635  1.00  0.00           H  
HETATM   84  H   UNL     1       3.067  -4.448  -1.278  1.00  0.00           H  
HETATM   85  H   UNL     1       4.094  -3.581  -2.445  1.00  0.00           H  
HETATM   86  H   UNL     1       3.799  -2.192   1.590  1.00  0.00           H  
HETATM   87  H   UNL     1       2.895  -3.637   1.078  1.00  0.00           H  
HETATM   88  H   UNL     1       5.202  -5.652  -1.651  1.00  0.00           H  
HETATM   89  H   UNL     1       6.107  -4.207  -1.139  1.00  0.00           H  
HETATM   90  H   UNL     1       5.935  -3.395   1.217  1.00  0.00           H  
HETATM   91  H   UNL     1       4.908  -4.263   2.385  1.00  0.00           H  
HETATM   92  H   UNL     1       4.113  -5.759   0.574  1.00  0.00           H  
HETATM   93  H   UNL     1       5.885  -5.826   0.726  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   44                                            
CONECT    7    6    8   10   45                                       
CONECT    8    7    9    9   14                                       
CONECT    9    8    8                                                 
CONECT   10    7   11   46   47                                       
CONECT   11   10   12   13   48                                       
CONECT   12   11   49   50   51                                       
CONECT   13   11   52   53   54                                       
CONECT   14   15   55    8                                            
CONECT   15   14   16   18   56                                       
CONECT   16   15   17   17   23                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   57   58                                       
CONECT   19   18   20   21   59                                       
CONECT   20   19   60   61   62                                       
CONECT   21   19   63   64   65                                       
CONECT   22   23   24   32   66                                       
CONECT   23   22   67   16                                            
CONECT   24   22   25   26   68                                       
CONECT   25   24   69                                                 
CONECT   26   24   27   28   70                                       
CONECT   27   26   71                                                 
CONECT   28   26   29   72   73                                       
CONECT   29   28   30   31   74                                       
CONECT   30   29   75   76   77                                       
CONECT   31   29   78   79   80                                       
CONECT   32   22   33   81   82                                       
CONECT   33   32   34   35   83                                       
CONECT   34   33   36   84   85                                       
CONECT   35   33   37   86   87                                       
CONECT   36   34   38   88   89                                       
CONECT   37   35   38   90   91                                       
CONECT   38   36   37   92   93                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
