sim/src/tests/amino_acids/ala_l_aminoacid.pdb


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COMPND    ala.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1      -1.020   1.690   0.788  1.00  0.00           N  
HETATM    2  C   LIG     1      -0.314   0.412   0.939  1.00  0.00           C  
HETATM    3  C   LIG     1       0.812   0.351  -0.086  1.00  0.00           C  
HETATM    4  O   LIG     1       1.971   0.099   0.151  1.00  0.00           O  
HETATM    5  O   LIG     1       0.357   0.582  -1.345  1.00  0.00           O  
HETATM    6  C   LIG     1      -1.204  -0.843   0.832  1.00  0.00           C  
HETATM    7  H   LIG     1      -1.739   1.763   1.505  1.00  0.00           H  
HETATM    8  H   LIG     1      -1.494   1.710  -0.112  1.00  0.00           H  
HETATM    9  H   LIG     1       0.189   0.415   1.910  1.00  0.00           H  
HETATM   10  H   LIG     1      -1.966  -0.822   1.619  1.00  0.00           H  
HETATM   11  H   LIG     1      -0.627  -1.768   0.948  1.00  0.00           H  
HETATM   12  H   LIG     1      -1.711  -0.872  -0.138  1.00  0.00           H  
HETATM   13  H   LIG     1       1.136   0.532  -1.925  1.00  0.00           H  
CONECT    1    8    2    7                                            
CONECT    2    3    1    6    9                                       
CONECT    3    5    4    2                                            
CONECT    4    3                                                      
CONECT    5   13    3                                                 
CONECT    6   12    2   11   10                                       
CONECT    7    1                                                      
CONECT    8    1                                                      
CONECT    9    2                                                      
CONECT   10    6                                                      
CONECT   11    6                                                      
CONECT   12    6                                                      
CONECT   13    5                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END