COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.301  -1.794  -2.465  1.00  0.00           C  
HETATM    2  C   UNL     1       1.843  -3.221  -2.410  1.00  0.00           C  
HETATM    3  C   UNL     1       1.277  -3.933  -1.207  1.00  0.00           C  
HETATM    4  C   UNL     1       1.094  -4.146   1.174  1.00  0.00           C  
HETATM    5  C   UNL     1       0.267  -5.250   1.012  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.065  -5.673  -0.260  1.00  0.00           C  
HETATM    7  C   UNL     1       0.434  -5.017  -1.371  1.00  0.00           C  
HETATM    8  C   UNL     1       2.542  -2.865   2.572  1.00  0.00           C  
HETATM    9  C   UNL     1       2.288  -1.862   3.699  1.00  0.00           C  
HETATM   10  C   UNL     1       3.311  -0.727   3.622  1.00  0.00           C  
HETATM   11  C   UNL     1       2.612   0.568   3.203  1.00  0.00           C  
HETATM   12  C   UNL     1       3.311   1.870   1.343  1.00  0.00           C  
HETATM   13  C   UNL     1       2.853   0.960   0.408  1.00  0.00           C  
HETATM   14  C   UNL     1       2.587   1.379  -0.896  1.00  0.00           C  
HETATM   15  C   UNL     1       2.816   2.708  -1.258  1.00  0.00           C  
HETATM   16  C   UNL     1       3.284   3.604  -0.318  1.00  0.00           C  
HETATM   17  C   UNL     1       3.525   3.193   0.980  1.00  0.00           C  
HETATM   18  C   UNL     1       3.534   5.038  -0.709  1.00  0.00           C  
HETATM   19  C   UNL     1       2.475   7.184  -0.840  1.00  0.00           C  
HETATM   20  C   UNL     1       2.056   0.414  -1.883  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.159  -1.787  -2.009  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.704  -0.358  -2.063  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.622   1.027  -1.550  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.017   1.015  -0.979  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.211   1.220   0.374  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.491   1.208   0.898  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.575   0.991   0.069  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.380   0.786  -1.285  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.102   0.803  -1.809  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.703   1.431   2.373  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.580   2.667   2.581  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.394   0.208   2.980  1.00  0.00           C  
HETATM   33  C   UNL     1       1.606  -3.497   0.062  1.00  0.00           C  
HETATM   34  N   UNL     1       2.098  -0.920  -1.577  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.066  -0.332  -1.513  1.00  0.00           N  
HETATM   36  O   UNL     1       1.407  -3.719   2.426  1.00  0.00           O  
HETATM   37  O   UNL     1       3.560   1.464   2.618  1.00  0.00           O  
HETATM   38  O   UNL     1       2.345   5.803  -0.499  1.00  0.00           O  
HETATM   39  O   UNL     1       1.594   0.795  -2.940  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.932  -2.625  -2.871  1.00  0.00           O  
HETATM   41  H   UNL     1       1.362  -1.423  -3.488  1.00  0.00           H  
HETATM   42  H   UNL     1       1.555  -3.754  -3.316  1.00  0.00           H  
HETATM   43  H   UNL     1       2.931  -3.194  -2.337  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.113  -5.775   1.876  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.719  -6.523  -0.388  1.00  0.00           H  
HETATM   46  H   UNL     1       0.166  -5.350  -2.362  1.00  0.00           H  
HETATM   47  H   UNL     1       2.714  -2.327   1.640  1.00  0.00           H  
HETATM   48  H   UNL     1       3.419  -3.465   2.812  1.00  0.00           H  
HETATM   49  H   UNL     1       1.283  -1.451   3.599  1.00  0.00           H  
HETATM   50  H   UNL     1       2.379  -2.366   4.661  1.00  0.00           H  
HETATM   51  H   UNL     1       3.775  -0.590   4.598  1.00  0.00           H  
HETATM   52  H   UNL     1       4.077  -0.979   2.888  1.00  0.00           H  
HETATM   53  H   UNL     1       1.833   0.340   2.476  1.00  0.00           H  
HETATM   54  H   UNL     1       2.164   1.038   4.079  1.00  0.00           H  
HETATM   55  H   UNL     1       2.701  -0.072   0.687  1.00  0.00           H  
HETATM   56  H   UNL     1       2.628   3.033  -2.270  1.00  0.00           H  
HETATM   57  H   UNL     1       3.880   3.902   1.713  1.00  0.00           H  
HETATM   58  H   UNL     1       4.340   5.445  -0.100  1.00  0.00           H  
HETATM   59  H   UNL     1       3.814   5.084  -1.761  1.00  0.00           H  
HETATM   60  H   UNL     1       2.734   7.275  -1.895  1.00  0.00           H  
HETATM   61  H   UNL     1       1.531   7.695  -0.652  1.00  0.00           H  
HETATM   62  H   UNL     1       3.260   7.636  -0.234  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.222  -2.161  -0.987  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.062   0.298  -1.476  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.723  -0.016  -3.098  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.655   1.379  -2.581  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.993   1.693  -0.959  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.364   1.390   1.022  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.574   0.981   0.478  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.227   0.616  -1.932  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.950   0.643  -2.866  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.740   1.583   2.860  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.734   2.829   3.648  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.088   3.539   2.149  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.543   2.516   2.094  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.357   0.056   2.493  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.769  -0.673   2.832  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.547   0.369   4.047  1.00  0.00           H  
HETATM   79  H   UNL     1       2.264  -2.650   0.187  1.00  0.00           H  
HETATM   80  H   UNL     1       2.612  -1.266  -0.831  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.084  -0.705  -0.576  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.921  -2.350  -3.799  1.00  0.00           H  
CONECT    1   21    2   34   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    7    2   33   33                                       
CONECT    4    5    5   33   36                                       
CONECT    5    6    4    4   44                                       
CONECT    6    7    7    5   45                                       
CONECT    7    6    6    3   46                                       
CONECT    8   36    9   47   48                                       
CONECT    9    8   10   49   50                                       
CONECT   10   11    9   51   52                                       
CONECT   11   37   10   53   54                                       
CONECT   12   13   13   17   37                                       
CONECT   13   14   12   12   55                                       
CONECT   14   20   15   15   13                                       
CONECT   15   14   14   16   56                                       
CONECT   16   15   18   17   17                                       
CONECT   17   16   16   12   57                                       
CONECT   18   16   38   58   59                                       
CONECT   19   38   60   61   62                                       
CONECT   20   39   39   34   14                                       
CONECT   21   22   40    1   63                                       
CONECT   22   35   21   64   65                                       
CONECT   23   24   35   66   67                                       
CONECT   24   25   25   29   23                                       
CONECT   25   26   24   24   68                                       
CONECT   26   30   27   27   25                                       
CONECT   27   26   26   28   69                                       
CONECT   28   27   29   29   70                                       
CONECT   29   28   28   24   71                                       
CONECT   30   32   31   26   72                                       
CONECT   31   30   73   74   75                                       
CONECT   32   30   76   77   78                                       
CONECT   33    3    3    4   79                                       
CONECT   34    1   20   80                                            
CONECT   35   23   22   81                                            
CONECT   36    4    8                                                 
CONECT   37   12   11                                                 
CONECT   38   18   19                                                 
CONECT   39   20   20                                                 
CONECT   40   21   82                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   40                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
