COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.406  -2.979  -0.335  1.00  0.00           O  
HETATM    2  O   UNL     1      -0.348   2.083  -1.402  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.996   2.574  -0.502  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.912   3.738  -0.781  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.387   3.430  -1.032  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.832   1.965  -0.974  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.339   1.663   0.441  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.403   2.612   0.791  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.063   2.223   2.044  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.896   3.987   0.868  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.424   4.435  -0.520  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.492   3.858  -2.193  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.897   2.080   0.748  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.007   0.949   1.020  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.439  -0.254   0.179  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.828  -0.716   0.627  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.261  -1.919  -0.213  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.649  -2.380   0.234  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.082  -3.583  -0.606  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.470  -4.045  -0.158  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.427  -4.418   1.220  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.904  -5.248  -0.998  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.292  -5.709  -0.551  1.00  0.00           C  
HETATM   24  C   UNL     1       1.408   1.327   0.664  1.00  0.00           C  
HETATM   25  N   UNL     1       1.817   2.552   0.266  1.00  0.00           N  
HETATM   26  C   UNL     1       3.164   2.481   0.043  1.00  0.00           C  
HETATM   27  C   UNL     1       3.538   1.204   0.313  1.00  0.00           C  
HETATM   28  N   UNL     1       2.437   0.526   0.696  1.00  0.00           N  
HETATM   29  C   UNL     1       4.912   0.654   0.211  1.00  0.00           C  
HETATM   30  C   UNL     1       5.980   1.496  -0.093  1.00  0.00           C  
HETATM   31  C   UNL     1       7.260   0.982  -0.188  1.00  0.00           C  
HETATM   32  C   UNL     1       7.476  -0.362   0.020  1.00  0.00           C  
HETATM   33  C   UNL     1       8.745  -1.217  -0.013  1.00  0.00           C  
HETATM   34  C   UNL     1       8.393  -2.271   1.099  1.00  0.00           C  
HETATM   35  C   UNL     1       6.984  -2.616   0.490  1.00  0.00           C  
HETATM   36  C   UNL     1       7.401  -3.036  -0.955  1.00  0.00           C  
HETATM   37  C   UNL     1       8.583  -2.097  -1.293  1.00  0.00           C  
HETATM   38  C   UNL     1       6.415  -1.206   0.323  1.00  0.00           C  
HETATM   39  C   UNL     1       5.139  -0.706   0.426  1.00  0.00           C  
HETATM   40  H   UNL     1      -6.488  -2.675  -1.249  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.673   4.662  -0.254  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.633   1.796  -1.693  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.986   1.317  -1.205  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.731   0.647   0.477  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.517   1.761   1.150  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.330   2.207   2.851  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.847   2.943   2.280  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.502   1.232   1.932  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.691   4.649   1.212  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.061   4.029   1.567  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.972   5.424  -0.451  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.273   4.466  -1.203  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.634   4.861  -2.595  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.210   3.096  -2.919  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.415   2.473   1.468  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.059   0.691   2.077  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.472   0.030  -0.872  1.00  0.00           H  
HETATM   58  H   UNL     1       0.274  -1.067   0.314  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.795  -1.000   1.679  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.542   0.097   0.493  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.294  -1.635  -1.265  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.547  -2.732  -0.079  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.616  -2.665   1.286  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.363  -1.568   0.100  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.115  -3.299  -1.658  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.368  -4.396  -0.471  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.811  -5.137   1.414  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.937  -4.964  -2.050  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.190  -6.061  -0.864  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.600  -6.567  -1.150  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.259  -5.994   0.501  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.006  -4.897  -0.686  1.00  0.00           H  
HETATM   73  H   UNL     1       1.258   3.337   0.159  1.00  0.00           H  
HETATM   74  H   UNL     1       3.805   3.286  -0.286  1.00  0.00           H  
HETATM   75  H   UNL     1       5.808   2.550  -0.256  1.00  0.00           H  
HETATM   76  H   UNL     1       8.089   1.633  -0.424  1.00  0.00           H  
HETATM   77  H   UNL     1       9.689  -0.683   0.101  1.00  0.00           H  
HETATM   78  H   UNL     1       9.069  -3.125   1.090  1.00  0.00           H  
HETATM   79  H   UNL     1       8.319  -1.820   2.089  1.00  0.00           H  
HETATM   80  H   UNL     1       6.376  -3.331   1.043  1.00  0.00           H  
HETATM   81  H   UNL     1       7.723  -4.077  -0.972  1.00  0.00           H  
HETATM   82  H   UNL     1       6.577  -2.879  -1.651  1.00  0.00           H  
HETATM   83  H   UNL     1       8.343  -1.475  -2.156  1.00  0.00           H  
HETATM   84  H   UNL     1       9.489  -2.674  -1.477  1.00  0.00           H  
HETATM   85  H   UNL     1       4.316  -1.363   0.667  1.00  0.00           H  
CONECT    1   20   40                                                 
CONECT    2    3    3                                                 
CONECT    3    2    2    4   13                                       
CONECT    4   12    3    5   41                                       
CONECT    5   12    4    6   11                                       
CONECT    6    5    7   42   43                                       
CONECT    7    6    8   44   45                                       
CONECT    8    7   10    9                                            
CONECT    9    8   46   47   48                                       
CONECT   10   11    8   49   50                                       
CONECT   11    5   10   51   52                                       
CONECT   12    4    5   53   54                                       
CONECT   13    3   14   55                                            
CONECT   14   13   15   24   56                                       
CONECT   15   14   16   57   58                                       
CONECT   16   15   17   59   60                                       
CONECT   17   16   18   61   62                                       
CONECT   18   17   19   63   64                                       
CONECT   19   18   20   65   66                                       
CONECT   20   21    1   19   22                                       
CONECT   21   20   67                                                 
CONECT   22   20   23   68   69                                       
CONECT   23   22   70   71   72                                       
CONECT   24   14   25   28   28                                       
CONECT   25   24   26   73                                            
CONECT   26   25   27   27   74                                       
CONECT   27   26   26   28   29                                       
CONECT   28   24   24   27                                            
CONECT   29   27   30   30   39                                       
CONECT   30   29   29   31   75                                       
CONECT   31   30   32   32   76                                       
CONECT   32   31   31   38   33                                       
CONECT   33   32   37   34   77                                       
CONECT   34   35   33   78   79                                       
CONECT   35   38   36   34   80                                       
CONECT   36   35   37   81   82                                       
CONECT   37   36   33   83   84                                       
CONECT   38   39   39   32   35                                       
CONECT   39   29   38   38   85                                       
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   39                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
