COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.816   0.167   1.037  1.00  0.00           C  
HETATM    2  N   UNL     1       3.049   0.886  -1.272  1.00  0.00           N  
HETATM    3  O   UNL     1       3.747  -0.564   0.798  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.275   1.074  -0.038  1.00  0.00           C  
HETATM    5  C   UNL     1       0.806   0.734  -0.300  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.121  -1.086  -1.242  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.325  -2.441   0.721  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.607   0.682   0.385  1.00  0.00           O  
HETATM    9  OXT UNL     1      -1.985   2.007  -0.320  1.00  0.00           O  
HETATM   10  N   UNL     1       0.002   0.830   0.950  1.00  0.00           N  
HETATM   11  S   UNL     1       0.601  -1.049  -0.711  1.00  0.00           S  
HETATM   12  C   UNL     1      -2.308   0.995   0.255  1.00  0.00           C  
HETATM   13  CA  UNL     1      -1.253   0.082   0.825  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.123  -1.156  -0.085  1.00  0.00           C  
HETATM   15  H   UNL     1       2.369   0.168   2.020  1.00  0.00           H  
HETATM   16  H1  UNL     1       2.990  -0.069  -1.594  1.00  0.00           H  
HETATM   17  H2  UNL     1       2.747   1.528  -1.989  1.00  0.00           H  
HETATM   18  HA  UNL     1       2.355   2.111   0.287  1.00  0.00           H  
HETATM   19  H   UNL     1       0.393   1.368  -1.084  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.137  -1.086  -0.846  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.954  -0.171  -1.811  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.985  -1.949  -1.893  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.188  -3.304   0.069  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.598  -2.479   1.532  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.333  -2.455   1.136  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.247   1.298   0.003  1.00  0.00           H  
HETATM   27  H   UNL     1       0.533   0.514   1.748  1.00  0.00           H  
HETATM   28  HA  UNL     1      -1.569  -0.244   1.816  1.00  0.00           H  
CONECT    1    3    3    4   15                                       
CONECT    2    4   16   17                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   18                                       
CONECT    5    4   11   10   19                                       
CONECT    6   14   20   21   22                                       
CONECT    7   14   23   24   25                                       
CONECT    8   12   26                                                 
CONECT    9   12   12                                                 
CONECT   10    5   13   27                                            
CONECT   11    5   14                                                 
CONECT   12    8    9    9   13                                       
CONECT   13   10   12   14   28                                       
CONECT   14    6    7   11   13                                       
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   10                                                      
CONECT   28   13                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
