COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.327  -0.737   0.583  1.00  0.00           O  
HETATM    2  C   UNL     1       1.707  -0.024  -0.170  1.00  0.00           C  
HETATM    3  CA  UNL     1       0.326  -0.422  -0.620  1.00  0.00           C  
HETATM    4  N   UNL     1       0.145  -1.867  -0.424  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.717   0.338   0.201  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.546  -0.001   1.683  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.529   1.843  -0.003  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.381  -0.142  -0.340  1.00  0.00           S  
HETATM    9  OXT UNL     1       2.248   1.127  -0.602  1.00  0.00           O  
HETATM   10  HA  UNL     1       0.204  -0.181  -1.676  1.00  0.00           H  
HETATM   11  H1  UNL     1       0.780  -2.393  -1.005  1.00  0.00           H  
HETATM   12  H2  UNL     1       0.253  -2.116   0.548  1.00  0.00           H  
HETATM   13  H   UNL     1       0.454   0.288   2.009  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.289   0.541   2.268  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.680  -1.072   1.829  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.651   2.084  -1.059  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.272   2.385   0.582  1.00  0.00           H  
HETATM   18  H   UNL     1       0.470   2.131   0.322  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.181   0.592   0.454  1.00  0.00           H  
HETATM   20  HXT UNL     1       3.135   1.342  -0.282  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    9    3                                       
CONECT    3    2    5   10    4                                       
CONECT    4    3   11   12                                            
CONECT    5    3    6    7    8                                       
CONECT    6    5   13   14   15                                       
CONECT    7    5   16   17   18                                       
CONECT    8    5   19                                                 
CONECT    9    2   20                                                 
CONECT   10    3                                                      
CONECT   11    4                                                      
CONECT   12    4                                                      
CONECT   13    6                                                      
CONECT   14    6                                                      
CONECT   15    6                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
