sim/src/tests/amino_acids/met_l_aminoacid.pdb


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COMPND    met.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1      -0.522   1.670   1.576  1.00  0.00           N  
HETATM    2  C   LIG     1       0.400   0.539   1.710  1.00  0.00           C  
HETATM    3  C   LIG     1       1.694   0.816   0.949  1.00  0.00           C  
HETATM    4  O   LIG     1       2.350  -0.004   0.346  1.00  0.00           O  
HETATM    5  O   LIG     1       2.088   2.107   1.080  1.00  0.00           O  
HETATM    6  C   LIG     1      -0.258  -0.773   1.247  1.00  0.00           C  
HETATM    7  C   LIG     1      -0.806  -0.717  -0.181  1.00  0.00           C  
HETATM    8  S   LIG     1      -1.778  -2.237  -0.528  1.00  0.00           S  
HETATM    9  C   LIG     1      -2.284  -1.892  -2.249  1.00  0.00           C  
HETATM   10  H   LIG     1      -0.063   2.533   1.855  1.00  0.00           H  
HETATM   11  H   LIG     1      -1.314   1.533   2.199  1.00  0.00           H  
HETATM   12  H   LIG     1       0.741   0.377   2.752  1.00  0.00           H  
HETATM   13  H   LIG     1      -1.072  -0.999   1.949  1.00  0.00           H  
HETATM   14  H   LIG     1       0.478  -1.577   1.337  1.00  0.00           H  
HETATM   15  H   LIG     1       0.019  -0.648  -0.897  1.00  0.00           H  
HETATM   16  H   LIG     1      -1.447   0.161  -0.300  1.00  0.00           H  
HETATM   17  H   LIG     1      -2.970  -2.689  -2.544  1.00  0.00           H  
HETATM   18  H   LIG     1      -1.427  -1.892  -2.929  1.00  0.00           H  
HETATM   19  H   LIG     1      -2.807  -0.934  -2.316  1.00  0.00           H  
HETATM   20  H   LIG     1       2.929   2.185   0.597  1.00  0.00           H  
CONECT    1    2   10   11                                            
CONECT    2    3    6    1   12                                       
CONECT    3    4    5    2                                            
CONECT    4    3                                                      
CONECT    5   20    3                                                 
CONECT    6    7   14    2   13                                       
CONECT    7   15    8   16    6                                       
CONECT    8    9    7                                                 
CONECT    9   18   17   19    8                                       
CONECT   10    1                                                      
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    6                                                      
CONECT   14    6                                                      
CONECT   15    7                                                      
CONECT   16    7                                                      
CONECT   17    9                                                      
CONECT   18    9                                                      
CONECT   19    9                                                      
CONECT   20    5                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END