sim/src/tests/amino_acids/asp_l_aminoacid.pdb


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COMPND    asp.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1      -0.959   1.313   0.839  1.00  0.00           N  
HETATM    2  C   LIG     1       0.039   0.256   0.936  1.00  0.00           C  
HETATM    3  C   LIG     1       1.211   0.331  -0.055  1.00  0.00           C  
HETATM    4  O   LIG     1       2.345  -0.016   0.187  1.00  0.00           O  
HETATM    5  O   LIG     1       0.831   0.818  -1.264  1.00  0.00           O  
HETATM    6  C   LIG     1      -0.625  -1.144   0.834  1.00  0.00           C  
HETATM    7  C   LIG     1      -1.108  -1.500  -0.557  1.00  0.00           C  
HETATM    8  O   LIG     1      -0.607  -2.325  -1.286  1.00  0.00           O  
HETATM    9  O   LIG     1      -2.191  -0.766  -0.929  1.00  0.00           O  
HETATM   10  H   LIG     1      -0.509   2.221   0.919  1.00  0.00           H  
HETATM   11  H   LIG     1      -1.409   1.280  -0.071  1.00  0.00           H  
HETATM   12  H   LIG     1       0.505   0.305   1.924  1.00  0.00           H  
HETATM   13  H   LIG     1      -1.474  -1.146   1.525  1.00  0.00           H  
HETATM   14  H   LIG     1       0.092  -1.912   1.129  1.00  0.00           H  
HETATM   15  H   LIG     1      -2.398  -1.040  -1.839  1.00  0.00           H  
HETATM   16  H   LIG     1       1.620   0.775  -1.831  1.00  0.00           H  
CONECT    1   11   10    2                                            
CONECT    2    3    6    1   12                                       
CONECT    3    5    4    2                                            
CONECT    4    3                                                      
CONECT    5   16    3                                                 
CONECT    6    7    2   14   13                                       
CONECT    7    8    9    6                                            
CONECT    8    7                                                      
CONECT    9   15    7                                                 
CONECT   10    1                                                      
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    6                                                      
CONECT   14    6                                                      
CONECT   15    9                                                      
CONECT   16    5                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END