COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.299  -2.822  -1.012  1.00  0.00           O  
HETATM    2  C   UNL     1       7.569  -1.963  -0.580  1.00  0.00           C  
HETATM    3  C   UNL     1       6.605  -2.251   0.552  1.00  0.00           C  
HETATM    4  C   UNL     1       7.082  -1.551   1.826  1.00  0.00           C  
HETATM    5  O   UNL     1       5.314  -1.755   0.182  1.00  0.00           O  
HETATM    6  C   UNL     1       7.590  -0.558  -1.148  1.00  0.00           C  
HETATM    7  N   UNL     1       8.365  -0.539  -2.396  1.00  0.00           N  
HETATM    8  C   UNL     1       6.141  -0.139  -1.429  1.00  0.00           C  
HETATM    9  C   UNL     1       5.301  -0.370  -0.167  1.00  0.00           C  
HETATM   10  O   UNL     1       3.955   0.047  -0.406  1.00  0.00           O  
HETATM   11  P   UNL     1       2.999   0.630   0.751  1.00  0.00           P  
HETATM   12  O   UNL     1       2.710  -0.521   1.839  1.00  0.00           O  
HETATM   13  O   UNL     1       3.664   1.776   1.410  1.00  0.00           O  
HETATM   14  O   UNL     1       1.608   1.116   0.102  1.00  0.00           O  
HETATM   15  P   UNL     1       0.441   2.117   0.580  1.00  0.00           P  
HETATM   16  O   UNL     1       0.891   3.638   0.302  1.00  0.00           O  
HETATM   17  O   UNL     1       0.195   1.933   2.028  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.909   1.798  -0.238  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.153   2.447   0.030  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.223   1.912  -0.924  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.548   0.543  -0.600  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.546   2.687  -0.737  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.678   3.701  -1.735  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.640   1.610  -0.912  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.848   0.312  -1.184  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.502  -0.829  -0.539  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.635  -0.851   0.800  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.210   0.078   1.460  1.00  0.00           O  
HETATM   29  N   UNL     1      -6.232  -1.886   1.419  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.977  -1.860  -1.303  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.580  -2.911  -0.708  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.109  -4.056  -1.533  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.708  -2.924   0.702  1.00  0.00           C  
HETATM   34  O   UNL     1      -7.249  -3.861   1.261  1.00  0.00           O  
HETATM   35  H   UNL     1       6.550  -3.326   0.722  1.00  0.00           H  
HETATM   36  H   UNL     1       6.375  -1.745   2.633  1.00  0.00           H  
HETATM   37  H   UNL     1       8.064  -1.931   2.104  1.00  0.00           H  
HETATM   38  H   UNL     1       7.144  -0.477   1.648  1.00  0.00           H  
HETATM   39  H   UNL     1       8.038   0.124  -0.426  1.00  0.00           H  
HETATM   40  H   UNL     1       9.316  -0.836  -2.236  1.00  0.00           H  
HETATM   41  H   UNL     1       7.923  -1.107  -3.104  1.00  0.00           H  
HETATM   42  H   UNL     1       6.113   0.916  -1.701  1.00  0.00           H  
HETATM   43  H   UNL     1       5.742  -0.737  -2.249  1.00  0.00           H  
HETATM   44  H   UNL     1       5.719   0.214   0.653  1.00  0.00           H  
HETATM   45  H   UNL     1       2.274  -1.305   1.477  1.00  0.00           H  
HETATM   46  H   UNL     1       1.069   3.831  -0.628  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.453   2.247   1.059  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.042   3.521  -0.114  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.881   1.988  -1.957  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.595   3.125   0.260  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.492   4.219  -1.665  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.230   1.514  -0.001  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.283   1.852  -1.759  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.757   0.141  -2.257  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.319  -1.886   2.385  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.871  -1.832  -2.378  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.329  -4.807  -1.654  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.967  -4.501  -1.030  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.413  -3.687  -2.513  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    6                                       
CONECT    3    4    5    2   35                                       
CONECT    4    3   36   37   38                                       
CONECT    5    3    9                                                 
CONECT    6    2    8    7   39                                       
CONECT    7    6   40   41                                            
CONECT    8    9    6   42   43                                       
CONECT    9   10    5    8   44                                       
CONECT   10   11    9                                                 
CONECT   11   13   13   14   12                                       
CONECT   11   10                                                      
CONECT   12   11   45                                                 
CONECT   13   11   11                                                 
CONECT   14   15   11                                                 
CONECT   15   17   17   16   18                                       
CONECT   15   14                                                      
CONECT   16   15   46                                                 
CONECT   17   15   15                                                 
CONECT   18   19   15                                                 
CONECT   19   20   18   47   48                                       
CONECT   20   21   19   22   49                                       
CONECT   21   25   20                                                 
CONECT   22   20   24   23   50                                       
CONECT   23   22   51                                                 
CONECT   24   25   22   52   53                                       
CONECT   25   26   21   24   54                                       
CONECT   26   27   30   25                                            
CONECT   27   29   28   28   26                                       
CONECT   28   27   27                                                 
CONECT   29   33   27   55                                            
CONECT   30   31   31   26   56                                       
CONECT   31   33   32   30   30                                       
CONECT   32   31   57   58   59                                       
CONECT   33   34   34   29   31                                       
CONECT   34   33   33                                                 
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
