COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.851   0.363   0.347  1.00  0.00           C  
HETATM    2  C   UNL     1       4.530  -0.894  -0.132  1.00  0.00           C  
HETATM    3  C   UNL     1       3.223  -1.202  -0.450  1.00  0.00           C  
HETATM    4  C   UNL     1       2.224  -0.242  -0.286  1.00  0.00           C  
HETATM    5  C   UNL     1       2.554   1.025   0.199  1.00  0.00           C  
HETATM    6  C   UNL     1       3.864   1.318   0.518  1.00  0.00           C  
HETATM    7  C   UNL     1       0.822  -0.564  -0.625  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.125   0.350  -0.468  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.555   0.021  -0.814  1.00  0.00           C  
HETATM   10  CA  UNL     1      -2.448   0.296   0.397  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.891   0.085   0.015  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.449  -0.945   0.308  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.092  -0.621   1.487  1.00  0.00           N  
HETATM   14  H   UNL     1       5.875   0.599   0.595  1.00  0.00           H  
HETATM   15  H   UNL     1       5.304  -1.636  -0.259  1.00  0.00           H  
HETATM   16  H   UNL     1       2.974  -2.183  -0.825  1.00  0.00           H  
HETATM   17  H   UNL     1       1.785   1.772   0.327  1.00  0.00           H  
HETATM   18  H   UNL     1       4.121   2.297   0.893  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.878   0.639  -1.652  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.629  -1.031  -1.089  1.00  0.00           H  
HETATM   21  HA  UNL     1      -2.307   1.326   0.726  1.00  0.00           H  
HETATM   22  H1  UNL     1      -2.623  -0.417   2.320  1.00  0.00           H  
HETATM   23  H   UNL     1       0.569  -1.545  -1.001  1.00  0.00           H  
HETATM   24  H   UNL     1       0.128   1.331  -0.093  1.00  0.00           H  
HETATM   25  OXT UNL     1      -4.556   1.043  -0.651  1.00  0.00           O  
HETATM   26  HXT UNL     1      -5.479   0.861  -0.874  1.00  0.00           H  
HETATM   27  H2  UNL     1      -2.214  -1.582   1.206  1.00  0.00           H  
CONECT    1    2    2   14    6                                       
CONECT    2    1    1    3   15                                       
CONECT    3    2   16    4    4                                       
CONECT    4    7    3    3    5                                       
CONECT    5    4   17    6    6                                       
CONECT    6    5    5    1   18                                       
CONECT    7    4    8    8   23                                       
CONECT    8    7    7    9   24                                       
CONECT    9    8   10   19   20                                       
CONECT   10    9   21   11   13                                       
CONECT   11   10   12   12   25                                       
CONECT   12   11   11                                                 
CONECT   13   10   22   27                                            
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    9                                                      
CONECT   20    9                                                      
CONECT   21   10                                                      
CONECT   22   13                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25   11   26                                                 
CONECT   26   25                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
