sim/src/tests/amino_acids/ile_l_aminoacid.pdb


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COMPND    ile.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1      -0.505   1.891   0.466  1.00  0.00           N  
HETATM    2  C   LIG     1       0.363   0.739   0.670  1.00  0.00           C  
HETATM    3  C   LIG     1       1.520   0.568  -0.325  1.00  0.00           C  
HETATM    4  O   LIG     1       2.417  -0.238  -0.202  1.00  0.00           O  
HETATM    5  H   LIG     1      -0.867   1.892  -0.485  1.00  0.00           H  
HETATM    6  O   LIG     1       1.444   1.411  -1.388  1.00  0.00           O  
HETATM    7  H   LIG     1       0.023   2.755   0.560  1.00  0.00           H  
HETATM    8  H   LIG     1       0.855   0.856   1.643  1.00  0.00           H  
HETATM    9  C   LIG     1      -0.450  -0.590   0.732  1.00  0.00           C  
HETATM   10  C   LIG     1      -1.397  -0.578   1.938  1.00  0.00           C  
HETATM   11  H   LIG     1       0.294  -1.385   0.868  1.00  0.00           H  
HETATM   12  C   LIG     1      -1.193  -0.852  -0.598  1.00  0.00           C  
HETATM   13  H   LIG     1      -0.494  -0.712  -1.433  1.00  0.00           H  
HETATM   14  H   LIG     1      -1.980  -0.096  -0.720  1.00  0.00           H  
HETATM   15  C   LIG     1      -1.817  -2.247  -0.714  1.00  0.00           C  
HETATM   16  H   LIG     1      -1.059  -3.032  -0.603  1.00  0.00           H  
HETATM   17  H   LIG     1      -2.292  -2.380  -1.691  1.00  0.00           H  
HETATM   18  H   LIG     1      -2.584  -2.417   0.048  1.00  0.00           H  
HETATM   19  H   LIG     1      -0.849  -0.427   2.875  1.00  0.00           H  
HETATM   20  H   LIG     1      -1.938  -1.525   2.028  1.00  0.00           H  
HETATM   21  H   LIG     1      -2.124   0.234   1.845  1.00  0.00           H  
HETATM   22  H   LIG     1       2.212   1.199  -1.946  1.00  0.00           H  
CONECT    1    5    7    2                                            
CONECT    2    3    1    9    8                                       
CONECT    3    6    4    2                                            
CONECT    4    3                                                      
CONECT    5    1                                                      
CONECT    6   22    3                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9   12    2   11   10                                       
CONECT   10    9   21   20   19                                       
CONECT   11    9                                                      
CONECT   12   13   14   15    9                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   17   16   12   18                                       
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