sim/src/tests/amino_acids/thr_l_aminoacid.pdb


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COMPND    thr.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1      -0.843   1.041  -1.472  1.00  0.00           N  
HETATM    2  C   LIG     1      -0.954   0.270  -0.228  1.00  0.00           C  
HETATM    3  C   LIG     1      -0.056  -0.979  -0.339  1.00  0.00           C  
HETATM    4  C   LIG     1      -0.564   1.136   0.971  1.00  0.00           C  
HETATM    5  O   LIG     1      -1.586   1.915   1.389  1.00  0.00           O  
HETATM    6  O   LIG     1       0.544   1.208   1.476  1.00  0.00           O  
HETATM    7  O   LIG     1       1.300  -0.596  -0.544  1.00  0.00           O  
HETATM    8  C   LIG     1      -0.211  -1.944   0.838  1.00  0.00           C  
HETATM    9  H   LIG     1      -1.334   1.928  -1.395  1.00  0.00           H  
HETATM   10  H   LIG     1       0.143   1.228  -1.643  1.00  0.00           H  
HETATM   11  H   LIG     1      -2.000  -0.032  -0.101  1.00  0.00           H  
HETATM   12  H   LIG     1      -0.357  -1.483  -1.265  1.00  0.00           H  
HETATM   13  H   LIG     1      -1.230   2.483   2.095  1.00  0.00           H  
HETATM   14  H   LIG     1       1.550  -0.081   0.243  1.00  0.00           H  
HETATM   15  H   LIG     1       0.428  -2.817   0.681  1.00  0.00           H  
HETATM   16  H   LIG     1      -1.247  -2.289   0.934  1.00  0.00           H  
HETATM   17  H   LIG     1       0.082  -1.474   1.783  1.00  0.00           H  
CONECT    1   10    9    2                                            
CONECT    2    1    3   11    4                                       
CONECT    3   12    7    2    8                                       
CONECT    4    2    5    6                                            
CONECT    5    4   13                                                 
CONECT    6    4                                                      
CONECT    7    3   14                                                 
CONECT    8    3   15   16   17                                       
CONECT    9    1                                                      
CONECT   10    1                                                      
CONECT   11    2                                                      
CONECT   12    3                                                      
CONECT   13    5                                                      
CONECT   14    7                                                      
CONECT   15    8                                                      
CONECT   16    8                                                      
CONECT   17    8                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END