sim/src/tests/amino_acids/cys_l_aminoacid.pdb


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COMPND    cys.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1       1.173   1.267   0.666  1.00  0.00           N  
HETATM    2  C   LIG     1       0.042   0.351   0.686  1.00  0.00           C  
HETATM    3  C   LIG     1       0.048  -0.751  -0.385  1.00  0.00           C  
HETATM    4  O   LIG     1      -0.927  -1.181  -0.965  1.00  0.00           O  
HETATM    5  O   LIG     1       1.291  -1.245  -0.593  1.00  0.00           O  
HETATM    6  C   LIG     1      -1.288   1.115   0.659  1.00  0.00           C  
HETATM    7  S   LIG     1      -1.537   2.160  -0.841  1.00  0.00           S  
HETATM    8  H   LIG     1       2.048   0.751   0.625  1.00  0.00           H  
HETATM    9  H   LIG     1       1.122   1.842  -0.174  1.00  0.00           H  
HETATM   10  H   LIG     1       0.075  -0.196   1.643  1.00  0.00           H  
HETATM   11  H   LIG     1      -1.811   1.138  -1.677  1.00  0.00           H  
HETATM   12  H   LIG     1      -2.124   0.422   0.745  1.00  0.00           H  
HETATM   13  H   LIG     1      -1.309   1.807   1.504  1.00  0.00           H  
HETATM   14  H   LIG     1       1.197  -1.952  -1.255  1.00  0.00           H  
CONECT    1    9    8    2                                            
CONECT    2    3    6    1   10                                       
CONECT    3    4    5    2                                            
CONECT    4    3                                                      
CONECT    5   14    3                                                 
CONECT    6    7    2   12   13                                       
CONECT    7   11    6                                                 
CONECT    8    1                                                      
CONECT    9    1                                                      
CONECT   10    2                                                      
CONECT   11    7                                                      
CONECT   12    6                                                      
CONECT   13    6                                                      
CONECT   14    5                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END