COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.812   0.712  -0.861  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.625  -0.980   0.732  1.00  0.00           C  
HETATM    3  C   UNL     1       2.884  -0.098  -0.002  1.00  0.00           C  
HETATM    4  CA  UNL     1       1.438  -0.016   0.412  1.00  0.00           C  
HETATM    5  C   UNL     1       0.546  -0.110  -0.828  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.900  -0.152  -0.405  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.368  -1.043   0.445  1.00  0.00           N  
HETATM    8  N   UNL     1       1.195   1.261   1.095  1.00  0.00           N  
HETATM    9  O   UNL     1       3.544   0.910  -0.093  1.00  0.00           O  
HETATM   10  S   UNL     1      -3.359   0.309  -0.118  1.00  0.00           S  
HETATM   11  H   UNL     1      -1.632   1.517  -1.558  1.00  0.00           H  
HETATM   12  H   UNL     1      -3.138  -1.645   1.410  1.00  0.00           H  
HETATM   13  HA  UNL     1       1.207  -0.840   1.088  1.00  0.00           H  
HETATM   14  H   UNL     1       0.714   0.761  -1.462  1.00  0.00           H  
HETATM   15  H   UNL     1       0.789  -1.016  -1.383  1.00  0.00           H  
HETATM   16  H1  UNL     1       1.402   2.040   0.488  1.00  0.00           H  
HETATM   17  OXT UNL     1       3.439  -1.290  -0.271  1.00  0.00           O  
HETATM   18  HXT UNL     1       4.370  -1.292  -0.533  1.00  0.00           H  
HETATM   19  H2  UNL     1       0.248   1.313   1.439  1.00  0.00           H  
CONECT    1    6    6   10   11                                       
CONECT    2    7    7   10   12                                       
CONECT    3    9    9    4   17                                       
CONECT    4    3    5    8   13                                       
CONECT    5    4    6   14   15                                       
CONECT    6    5    1    1    7                                       
CONECT    7    6    2    2                                            
CONECT    8    4   16   19                                            
CONECT    9    3    3                                                 
CONECT   10    1    2                                                 
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    4                                                      
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    8                                                      
CONECT   17    3   18                                                 
CONECT   18   17                                                      
CONECT   19    8                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
