COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.760  -0.416   2.214  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.122  -0.940   0.926  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.157  -2.368   0.923  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.560  -2.964  -0.230  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.052  -2.658  -0.027  1.00  0.00           O  
HETATM    6  C   UNL     1      -8.748  -3.482   0.174  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.674   0.617   0.035  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.353   2.089  -0.004  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.194  -2.556  -0.325  1.00  0.00           O  
HETATM   10  O   UNL     1       2.389  -2.557   0.161  1.00  0.00           O  
HETATM   11  O   UNL     1       4.269  -4.064   0.914  1.00  0.00           O  
HETATM   12  C   UNL     1       7.016  -0.928  -0.825  1.00  0.00           C  
HETATM   13  C   UNL     1       7.646   1.249  -1.298  1.00  0.00           C  
HETATM   14  C   UNL     1       7.729   3.697  -1.254  1.00  0.00           C  
HETATM   15  C   UNL     1       7.867   4.862  -0.585  1.00  0.00           C  
HETATM   16  O   UNL     1       8.054   1.433   1.343  1.00  0.00           O  
HETATM   17  O   UNL     1       8.211   5.869   1.439  1.00  0.00           O  
HETATM   18  C   UNL     1       7.790   6.177  -1.317  1.00  0.00           C  
HETATM   19  C   UNL     1       8.542  -0.894  -0.558  1.00  0.00           C  
HETATM   20  O   UNL     1       0.743  -3.534   1.805  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.316  -2.516  -1.484  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.293  -0.986  -1.564  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.900  -0.409  -0.281  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.303  -0.818  -0.177  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.235   0.077  -0.126  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.649  -0.335  -0.022  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.004  -1.692   0.024  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.347  -2.030   0.123  1.00  0.00           C  
HETATM   29  N   UNL     1      -9.275  -1.097   0.174  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.981   0.189   0.133  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.565   2.843   0.074  1.00  0.00           O  
HETATM   32  P   UNL     1      -8.599   4.452   0.058  1.00  0.00           P  
HETATM   33  O   UNL     1     -10.127   4.957   0.029  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.872   5.017   1.379  1.00  0.00           O  
HETATM   35  O   UNL     1      -7.892   4.949  -1.144  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.058  -0.555  -2.691  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.686  -3.064  -2.643  1.00  0.00           O  
HETATM   38  P   UNL     1       1.014  -3.370   0.359  1.00  0.00           P  
HETATM   39  O   UNL     1       1.143  -4.819  -0.330  1.00  0.00           O  
HETATM   40  P   UNL     1       3.849  -2.647   0.834  1.00  0.00           P  
HETATM   41  O   UNL     1       4.905  -1.825  -0.062  1.00  0.00           O  
HETATM   42  C   UNL     1       6.307  -1.800   0.214  1.00  0.00           C  
HETATM   43  O   UNL     1       6.618   0.453  -0.686  1.00  0.00           O  
HETATM   44  N   UNL     1       7.796   2.513  -0.572  1.00  0.00           N  
HETATM   45  C   UNL     1       8.084   4.831   0.814  1.00  0.00           C  
HETATM   46  N   UNL     1       8.149   3.643   1.448  1.00  0.00           N  
HETATM   47  C   UNL     1       7.998   2.497   0.758  1.00  0.00           C  
HETATM   48  C   UNL     1       8.957   0.442  -1.222  1.00  0.00           C  
HETATM   49  O   UNL     1       9.195  -1.999  -1.185  1.00  0.00           O  
HETATM   50  O   UNL     1       3.797  -2.019   2.315  1.00  0.00           O  
HETATM   51  H   UNL     1      -3.795  -0.755   2.272  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.206  -0.794   3.074  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.734   0.674   2.216  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.088  -0.601   0.869  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.610  -4.050  -0.145  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.714  -2.924   0.839  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.773  -3.816   1.211  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.736  -3.602  -0.271  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.024  -4.078  -0.383  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.712   2.344   0.839  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.839   2.324  -0.936  1.00  0.00           H  
HETATM   62  H   UNL     1       6.808  -1.289  -1.832  1.00  0.00           H  
HETATM   63  H   UNL     1       7.391   1.447  -2.339  1.00  0.00           H  
HETATM   64  H   UNL     1       7.562   3.701  -2.321  1.00  0.00           H  
HETATM   65  H   UNL     1       6.756   6.523  -1.334  1.00  0.00           H  
HETATM   66  H   UNL     1       8.411   6.914  -0.807  1.00  0.00           H  
HETATM   67  H   UNL     1       8.146   6.046  -2.338  1.00  0.00           H  
HETATM   68  H   UNL     1       8.750  -0.877   0.512  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.348  -2.862  -1.431  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.264  -0.642  -1.666  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.838   0.678  -0.305  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.980   1.126  -0.161  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.777   0.917   0.181  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.224   5.919   0.019  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.283   4.731   2.207  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.733  -0.889  -3.538  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.660  -4.030  -2.657  1.00  0.00           H  
HETATM   78  H   UNL     1       1.322  -4.788  -1.280  1.00  0.00           H  
HETATM   79  H   UNL     1       6.704  -2.814   0.170  1.00  0.00           H  
HETATM   80  H   UNL     1       6.474  -1.388   1.209  1.00  0.00           H  
HETATM   81  H   UNL     1       8.298   3.614   2.406  1.00  0.00           H  
HETATM   82  H   UNL     1       9.354   0.264  -2.221  1.00  0.00           H  
HETATM   83  H   UNL     1       9.690   0.963  -0.605  1.00  0.00           H  
HETATM   84  H   UNL     1      10.151  -2.021  -1.046  1.00  0.00           H  
HETATM   85  H   UNL     1       3.529  -1.090   2.339  1.00  0.00           H  
CONECT    1    2   51   52   53                                       
CONECT    2    3    1   23   54                                       
CONECT    3    4    2                                                 
CONECT    4    9    3   21   55                                       
CONECT    5   27   56                                                 
CONECT    6   28   57   58   59                                       
CONECT    7   26    8   30   30                                       
CONECT    8   31    7   60   61                                       
CONECT    9   38    4                                                 
CONECT   10   40   38                                                 
CONECT   11   40   40                                                 
CONECT   12   19   42   43   62                                       
CONECT   13   43   48   44   63                                       
CONECT   14   44   15   15   64                                       
CONECT   15   14   14   45   18                                       
CONECT   16   47   47                                                 
CONECT   17   45   45                                                 
CONECT   18   15   65   66   67                                       
CONECT   19   49   12   48   68                                       
CONECT   20   38   38                                                 
CONECT   21    4   37   22   69                                       
CONECT   22   21   23   36   70                                       
CONECT   23    2   22   24   71                                       
CONECT   24   23   25   25                                            
CONECT   25   24   24   26   72                                       
CONECT   26   25   27   27    7                                       
CONECT   27    5   26   26   28                                       
CONECT   28   27    6   29   29                                       
CONECT   29   28   28   30                                            
CONECT   30    7    7   29   73                                       
CONECT   31   32    8                                                 
CONECT   32   35   35   33   34                                       
CONECT   32   31                                                      
CONECT   33   32   74                                                 
CONECT   34   32   75                                                 
CONECT   35   32   32                                                 
CONECT   36   22   76                                                 
CONECT   37   21   77                                                 
CONECT   38   10   20   20   39                                       
CONECT   38    9                                                      
CONECT   39   38   78                                                 
CONECT   40   11   11   41   10                                       
CONECT   40   50                                                      
CONECT   41   42   40                                                 
CONECT   42   12   41   79   80                                       
CONECT   43   12   13                                                 
CONECT   44   13   47   14                                            
CONECT   45   46   15   17   17                                       
CONECT   46   47   45   81                                            
CONECT   47   16   16   44   46                                       
CONECT   48   19   13   82   83                                       
CONECT   49   19   84                                                 
CONECT   50   40   85                                                 
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   46                                                      
CONECT   82   48                                                      
CONECT   83   48                                                      
CONECT   84   49                                                      
CONECT   85   50                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
