COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.358   5.345  -2.117  1.00  0.00           C  
HETATM    2  N   UNL     1       5.564   4.332  -1.417  1.00  0.00           N  
HETATM    3  C   UNL     1       5.236   4.510  -0.080  1.00  0.00           C  
HETATM    4  C   UNL     1       5.757   5.584   0.631  1.00  0.00           C  
HETATM    5  C   UNL     1       5.429   5.758   1.960  1.00  0.00           C  
HETATM    6  C   UNL     1       4.582   4.865   2.597  1.00  0.00           C  
HETATM    7  C   UNL     1       4.056   3.793   1.910  1.00  0.00           C  
HETATM    8  C   UNL     1       4.372   3.607   0.561  1.00  0.00           C  
HETATM    9  C   UNL     1       3.808   2.467  -0.181  1.00  0.00           C  
HETATM   10  O   UNL     1       4.167   2.247  -1.321  1.00  0.00           O  
HETATM   11  O   UNL     1       2.894   1.667   0.403  1.00  0.00           O  
HETATM   12  C   UNL     1       2.382   0.563  -0.388  1.00  0.00           C  
HETATM   13  C   UNL     1       3.230  -0.708  -0.157  1.00  0.00           C  
HETATM   14  O   UNL     1       4.284  -0.444   0.771  1.00  0.00           O  
HETATM   15  C   UNL     1       0.969   0.163   0.092  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.097   0.794  -0.806  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.394   0.508  -0.279  1.00  0.00           O  
HETATM   18  P   UNL     1      -2.755   1.019  -0.972  1.00  0.00           P  
HETATM   19  O   UNL     1      -2.815   2.627  -0.917  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.787   0.572  -2.383  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.020   0.407  -0.187  1.00  0.00           O  
HETATM   22  P   UNL     1      -5.568   0.179  -0.566  1.00  0.00           P  
HETATM   23  O   UNL     1      -5.711  -1.153  -1.459  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.065   1.343  -1.333  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.432   0.016   0.783  1.00  0.00           O  
HETATM   26  P   UNL     1      -8.007   0.071   1.116  1.00  0.00           P  
HETATM   27  O   UNL     1      -8.686  -1.336   0.729  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.213   0.354   2.687  1.00  0.00           O  
HETATM   29  O   UNL     1      -8.639   1.156   0.332  1.00  0.00           O  
HETATM   30  O   UNL     1       0.934  -1.276  -0.021  1.00  0.00           O  
HETATM   31  C   UNL     1       2.229  -1.725   0.435  1.00  0.00           C  
HETATM   32  N   UNL     1       2.510  -3.071  -0.072  1.00  0.00           N  
HETATM   33  C   UNL     1       1.915  -3.670  -1.142  1.00  0.00           C  
HETATM   34  N   UNL     1       2.406  -4.864  -1.308  1.00  0.00           N  
HETATM   35  C   UNL     1       3.341  -5.099  -0.358  1.00  0.00           C  
HETATM   36  C   UNL     1       3.421  -3.953   0.439  1.00  0.00           C  
HETATM   37  N   UNL     1       4.286  -3.919   1.463  1.00  0.00           N  
HETATM   38  C   UNL     1       5.059  -4.934   1.729  1.00  0.00           C  
HETATM   39  N   UNL     1       5.034  -6.074   0.994  1.00  0.00           N  
HETATM   40  C   UNL     1       4.185  -6.195  -0.051  1.00  0.00           C  
HETATM   41  O   UNL     1       4.156  -7.215  -0.719  1.00  0.00           O  
HETATM   42  H   UNL     1       6.513   5.035  -3.150  1.00  0.00           H  
HETATM   43  H   UNL     1       5.828   6.298  -2.100  1.00  0.00           H  
HETATM   44  H   UNL     1       7.323   5.457  -1.622  1.00  0.00           H  
HETATM   45  H   UNL     1       5.267   3.538  -1.888  1.00  0.00           H  
HETATM   46  H   UNL     1       6.418   6.284   0.142  1.00  0.00           H  
HETATM   47  H   UNL     1       5.837   6.595   2.507  1.00  0.00           H  
HETATM   48  H   UNL     1       4.333   5.011   3.637  1.00  0.00           H  
HETATM   49  H   UNL     1       3.396   3.101   2.411  1.00  0.00           H  
HETATM   50  H   UNL     1       2.368   0.826  -1.445  1.00  0.00           H  
HETATM   51  H   UNL     1       3.635  -1.073  -1.101  1.00  0.00           H  
HETATM   52  H   UNL     1       4.848  -1.209   0.953  1.00  0.00           H  
HETATM   53  H   UNL     1       0.819   0.468   1.128  1.00  0.00           H  
HETATM   54  H   UNL     1       0.051   1.873  -0.843  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.015   0.381  -1.812  1.00  0.00           H  
HETATM   56  H   UNL     1       2.274  -1.712   1.524  1.00  0.00           H  
HETATM   57  H   UNL     1       1.150  -3.221  -1.758  1.00  0.00           H  
HETATM   58  H   UNL     1       5.742  -4.865   2.563  1.00  0.00           H  
HETATM   59  H   UNL     1       5.625  -6.808   1.223  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.798   2.990  -0.021  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.404  -1.957  -1.018  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.320  -2.094   1.206  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.140   0.400   2.960  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    1    3   45                                            
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   46                                       
CONECT    5    4    6    6   47                                       
CONECT    6    5    5    7   48                                       
CONECT    7    6    8    8   49                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   15   50                                       
CONECT   13   12   14   31   51                                       
CONECT   14   13   52                                                 
CONECT   15   12   16   30   53                                       
CONECT   16   15   17   54   55                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   20   20                                       
CONECT   18   21                                                      
CONECT   19   18   60                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   24   24                                       
CONECT   22   25                                                      
CONECT   23   22   61                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   28   29                                       
CONECT   26   29                                                      
CONECT   27   26   62                                                 
CONECT   28   26   63                                                 
CONECT   29   26   26                                                 
CONECT   30   15   31                                                 
CONECT   31   13   30   32   56                                       
CONECT   32   31   33   36                                            
CONECT   33   32   34   34   57                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   36   40                                       
CONECT   36   32   35   35   37                                       
CONECT   37   36   38   38                                            
CONECT   38   37   37   39   58                                       
CONECT   39   38   40   59                                            
CONECT   40   35   39   41   41                                       
CONECT   41   40   40                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   31                                                      
CONECT   57   33                                                      
CONECT   58   38                                                      
CONECT   59   39                                                      
CONECT   60   19                                                      
CONECT   61   23                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
