sim/src/tests/amino_acids/leu_l_aminoacid.pdb


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COMPND    leu.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1      -0.138   0.531  -1.863  1.00  0.00           N  
HETATM    2  C   LIG     1       0.489   0.891  -0.588  1.00  0.00           C  
HETATM    3  C   LIG     1       1.679  -0.023  -0.300  1.00  0.00           C  
HETATM    4  O   LIG     1       2.056  -0.366   0.798  1.00  0.00           O  
HETATM    5  H   LIG     1       0.555   0.527  -2.606  1.00  0.00           H  
HETATM    6  O   LIG     1       2.346  -0.361  -1.433  1.00  0.00           O  
HETATM    7  H   LIG     1      -0.832   1.236  -2.100  1.00  0.00           H  
HETATM    8  H   LIG     1       0.948   1.901  -0.610  1.00  0.00           H  
HETATM    9  C   LIG     1      -0.508   0.880   0.582  1.00  0.00           C  
HETATM   10  C   LIG     1      -2.497  -0.642   0.001  1.00  0.00           C  
HETATM   11  H   LIG     1       0.058   1.172   1.472  1.00  0.00           H  
HETATM   12  C   LIG     1      -1.238  -0.458   0.861  1.00  0.00           C  
HETATM   13  H   LIG     1      -0.542  -1.272   0.621  1.00  0.00           H  
HETATM   14  H   LIG     1      -1.248   1.675   0.411  1.00  0.00           H  
HETATM   15  C   LIG     1      -1.575  -0.565   2.357  1.00  0.00           C  
HETATM   16  H   LIG     1      -0.667  -0.510   2.966  1.00  0.00           H  
HETATM   17  H   LIG     1      -2.078  -1.511   2.585  1.00  0.00           H  
HETATM   18  H   LIG     1      -2.243   0.248   2.672  1.00  0.00           H  
HETATM   19  H   LIG     1      -2.255  -0.607  -1.063  1.00  0.00           H  
HETATM   20  H   LIG     1      -3.234   0.144   0.218  1.00  0.00           H  
HETATM   21  H   LIG     1      -2.976  -1.605   0.214  1.00  0.00           H  
HETATM   22  H   LIG     1       3.100  -0.906  -1.152  1.00  0.00           H  
CONECT    1    5    7    2                                            
CONECT    2    1    8    3    9                                       
CONECT    3    6    2    4                                            
CONECT    4    3                                                      
CONECT    5    1                                                      
CONECT    6   22    3                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    2   14   12   11                                       
CONECT   10   19   21   20   12                                       
CONECT   11    9                                                      
CONECT   12   10    9   13   15                                       
CONECT   13   12                                                      
CONECT   14    9                                                      
CONECT   15   12   17   18   16                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19   10                                                      
CONECT   20   10                                                      
CONECT   21   10                                                      
CONECT   22    6                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END