COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.755  -0.172  -0.695  1.00  0.00           O  
HETATM    2  C   UNL     1       4.232   0.681   0.326  1.00  0.00           C  
HETATM    3  C   UNL     1       2.870   1.223  -0.111  1.00  0.00           C  
HETATM    4  O   UNL     1       1.886   0.166  -0.119  1.00  0.00           O  
HETATM    5  C   UNL     1       2.342   2.246   0.919  1.00  0.00           C  
HETATM    6  O   UNL     1       2.609   3.580   0.483  1.00  0.00           O  
HETATM    7  C   UNL     1       0.820   1.984   0.963  1.00  0.00           C  
HETATM    8  O   UNL     1       0.100   3.148   0.554  1.00  0.00           O  
HETATM    9  C   UNL     1       0.608   0.834  -0.047  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.180  -1.612   2.058  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.229  -0.763   1.611  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.423  -0.087   0.438  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.551  -0.259  -0.275  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.515  -1.098   0.148  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.360  -1.788   1.296  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.732  -1.272  -0.649  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.786  -0.259  -0.197  1.00  0.00           C  
HETATM   18  CA  UNL     1      -6.057  -0.441  -1.029  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.050   0.634  -0.670  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.641  -1.760  -0.751  1.00  0.00           N  
HETATM   21  OXT UNL     1      -6.925   1.865  -1.191  1.00  0.00           O  
HETATM   22  O   UNL     1      -7.959   0.388   0.087  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.702   0.352  -1.315  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.231  -2.547   1.679  1.00  0.00           O  
HETATM   25  O   UNL     1       7.235   0.079  -0.299  1.00  0.00           O  
HETATM   26  O   UNL     1       6.119  -1.984   0.635  1.00  0.00           O  
HETATM   27  P   UNL     1       6.176  -0.919  -0.571  1.00  0.00           P  
HETATM   28  H   UNL     1       4.118   0.114   1.250  1.00  0.00           H  
HETATM   29  H   UNL     1       4.918   1.512   0.491  1.00  0.00           H  
HETATM   30  H   UNL     1       2.944   1.682  -1.097  1.00  0.00           H  
HETATM   31  H   UNL     1       2.790   2.068   1.897  1.00  0.00           H  
HETATM   32  H   UNL     1       2.298   4.263   1.093  1.00  0.00           H  
HETATM   33  H   UNL     1       0.514   1.678   1.963  1.00  0.00           H  
HETATM   34  H   UNL     1       0.245   3.919   1.120  1.00  0.00           H  
HETATM   35  H   UNL     1       0.333   1.233  -1.024  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.040  -2.153   2.983  1.00  0.00           H  
HETATM   37  H   UNL     1       0.679  -0.619   2.178  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.502  -1.112  -1.702  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.116  -2.283  -0.510  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.015  -0.419   0.856  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.402   0.751  -0.336  1.00  0.00           H  
HETATM   42  HA  UNL     1      -5.811  -0.369  -2.089  1.00  0.00           H  
HETATM   43  H1  UNL     1      -6.877  -1.852   0.226  1.00  0.00           H  
HETATM   44  H2  UNL     1      -7.445  -1.930  -1.336  1.00  0.00           H  
HETATM   45  HXT UNL     1      -7.586   2.521  -0.931  1.00  0.00           H  
HETATM   46  H   UNL     1       5.446  -2.669   0.524  1.00  0.00           H  
HETATM   47  O   UNL     1       6.502  -1.685  -1.949  1.00  0.00           O  
HETATM   48  H   UNL     1       7.345  -2.158  -1.946  1.00  0.00           H  
CONECT    1   27    2                                                 
CONECT    2    3    1   28   29                                       
CONECT    3    4    5    2   30                                       
CONECT    4    9    3                                                 
CONECT    5    7    3    6   31                                       
CONECT    6    5   32                                                 
CONECT    7    9    8    5   33                                       
CONECT    8    7   34                                                 
CONECT    9   12    4    7   35                                       
CONECT   10   15   11   11   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12   13   11    9                                            
CONECT   13   14   23   23   12                                       
CONECT   14   16   15   13                                            
CONECT   15   24   24   14   10                                       
CONECT   16   17   14   38   39                                       
CONECT   17   18   16   40   41                                       
CONECT   18   20   17   19   42                                       
CONECT   19   18   22   22   21                                       
CONECT   20   18   43   44                                            
CONECT   21   19   45                                                 
CONECT   22   19   19                                                 
CONECT   23   13   13                                                 
CONECT   24   15   15                                                 
CONECT   25   27   27                                                 
CONECT   26   27   46                                                 
CONECT   27   26    1   25   25                                       
CONECT   27   47                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   26                                                      
CONECT   47   27   48                                                 
CONECT   48   47                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
