COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.049   2.113  -0.067  1.00  0.00           N  
HETATM    2  CA  UNL     1       0.911   0.716   0.366  1.00  0.00           C  
HETATM    3  C   UNL     1       2.125  -0.066  -0.064  1.00  0.00           C  
HETATM    4  O   UNL     1       2.830   0.352  -0.952  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.340   0.106  -0.271  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.003  -2.172  -0.591  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.593  -1.569   0.377  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.538   0.959   0.058  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.569   1.582   1.093  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.569   1.026  -0.798  1.00  0.00           O  
HETATM   11  OXT UNL     1       2.425  -1.227   0.540  1.00  0.00           O  
HETATM   12  H1  UNL     1       1.832   2.557   0.390  1.00  0.00           H  
HETATM   13  H2  UNL     1       1.135   2.173  -1.071  1.00  0.00           H  
HETATM   14  HA  UNL     1       0.820   0.679   1.452  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.211   0.061  -1.353  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.745  -2.168  -1.650  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.249  -3.188  -0.281  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.863  -1.524  -0.423  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.315   1.586  -0.543  1.00  0.00           H  
HETATM   20  HXT UNL     1       3.214  -1.693   0.231  1.00  0.00           H  
CONECT    1    2   12   13                                            
CONECT    2    1    5    3   14                                       
CONECT    3    2    4    4   11                                       
CONECT    4    3    3                                                 
CONECT    5    8    7    2   15                                       
CONECT    6    7   16   17   18                                       
CONECT    7    5    6                                                 
CONECT    8    9    9   10    5                                       
CONECT    9    8    8                                                 
CONECT   10    8   19                                                 
CONECT   11    3   20                                                 
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
