sim/src/tests/amino_acids/pro_l_aminoacid.pdb


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COMPND    pro.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  C   LIG     1      -0.576   0.642  -0.924  1.00  0.00           C  
HETATM    2  C   LIG     1      -1.048   0.867   0.554  1.00  0.00           C  
HETATM    3  C   LIG     1      -1.211  -0.556   1.118  1.00  0.00           C  
HETATM    4  C   LIG     1      -0.172  -1.350   0.322  1.00  0.00           C  
HETATM    5  N   LIG     1      -0.341  -0.803  -1.029  1.00  0.00           N  
HETATM    6  C   LIG     1       0.614   1.548  -1.223  1.00  0.00           C  
HETATM    7  O   LIG     1       0.531   2.730  -1.471  1.00  0.00           O  
HETATM    8  O   LIG     1       1.806   0.897  -1.162  1.00  0.00           O  
HETATM    9  H   LIG     1      -1.357   0.956  -1.627  1.00  0.00           H  
HETATM   10  H   LIG     1      -0.283   1.410   1.118  1.00  0.00           H  
HETATM   11  H   LIG     1      -1.962   1.463   0.597  1.00  0.00           H  
HETATM   12  H   LIG     1      -2.212  -0.943   0.902  1.00  0.00           H  
HETATM   13  H   LIG     1      -1.047  -0.607   2.198  1.00  0.00           H  
HETATM   14  H   LIG     1       0.837  -1.186   0.739  1.00  0.00           H  
HETATM   15  H   LIG     1      -0.364  -2.429   0.325  1.00  0.00           H  
HETATM   16  H   LIG     1       0.444  -1.016  -1.635  1.00  0.00           H  
HETATM   17  H   LIG     1       2.485   1.568  -1.346  1.00  0.00           H  
CONECT    1    9    6    5    2                                       
CONECT    2    1   11    3   10                                       
CONECT    3    4    2   12   13                                       
CONECT    4    5   15   14    3                                       
CONECT    5   16    1    4                                            
CONECT    6    7    8    1                                            
CONECT    7    6                                                      
CONECT    8   17    6                                                 
CONECT    9    1                                                      
CONECT   10    2                                                      
CONECT   11    2                                                      
CONECT   12    3                                                      
CONECT   13    3                                                      
CONECT   14    4                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    8                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END