sim/src/tests/amino_acids/val_l_aminoacid.pdb


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COMPND    val.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1      -1.047   1.819   0.655  1.00  0.00           N  
HETATM    2  C   LIG     1      -0.165   0.664   0.810  1.00  0.00           C  
HETATM    3  C   LIG     1       1.127   0.709  -0.009  1.00  0.00           C  
HETATM    4  O   LIG     1       2.187   0.231   0.332  1.00  0.00           O  
HETATM    5  O   LIG     1       0.976   1.346  -1.202  1.00  0.00           O  
HETATM    6  C   LIG     1      -0.952  -0.659   0.563  1.00  0.00           C  
HETATM    7  C   LIG     1      -0.102  -1.904   0.850  1.00  0.00           C  
HETATM    8  C   LIG     1      -1.591  -0.728  -0.832  1.00  0.00           C  
HETATM    9  H   LIG     1      -1.247   1.973  -0.330  1.00  0.00           H  
HETATM   10  H   LIG     1      -0.575   2.662   0.976  1.00  0.00           H  
HETATM   11  H   LIG     1       0.173   0.637   1.853  1.00  0.00           H  
HETATM   12  H   LIG     1      -1.765  -0.617   1.301  1.00  0.00           H  
HETATM   13  H   LIG     1      -0.838  -0.687  -1.627  1.00  0.00           H  
HETATM   14  H   LIG     1      -2.304   0.085  -0.990  1.00  0.00           H  
HETATM   15  H   LIG     1      -2.140  -1.669  -0.945  1.00  0.00           H  
HETATM   16  H   LIG     1       0.701  -2.025   0.116  1.00  0.00           H  
HETATM   17  H   LIG     1      -0.726  -2.804   0.812  1.00  0.00           H  
HETATM   18  H   LIG     1       0.366  -1.858   1.839  1.00  0.00           H  
HETATM   19  H   LIG     1       1.845   1.300  -1.638  1.00  0.00           H  
CONECT    1    9    2   10                                            
CONECT    2    3    6    1   11                                       
CONECT    3    5    4    2                                            
CONECT    4    3                                                      
CONECT    5   19    3                                                 
CONECT    6    8    2    7   12                                       
CONECT    7   16    6   17   18                                       
CONECT    8   13   14   15    6                                       
CONECT    9    1                                                      
CONECT   10    1                                                      
CONECT   11    2                                                      
CONECT   12    6                                                      
CONECT   13    8                                                      
CONECT   14    8                                                      
CONECT   15    8                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18    7                                                      
CONECT   19    5                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END