sim/src/tests/amino_acids/his_l_aminoacid.pdb


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COMPND    his.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
ATOM      1  N   UNK     0      -0.482   2.110  -0.208  1.00  0.00           N  
ATOM      2  C   UNK     0       0.667   1.207  -0.318  1.00  0.00           C  
ATOM      3  C   UNK     0       1.564   1.564  -1.517  1.00  0.00           C  
ATOM      4  O   UNK     0       1.198   2.268  -2.426  1.00  0.00           O  
ATOM      5  O   UNK     0       2.799   1.004  -1.534  1.00  0.00           O  
ATOM      6  C   UNK     0       0.176  -0.262  -0.452  1.00  0.00           C  
ATOM      7  C   UNK     0      -0.505  -0.770   0.779  1.00  0.00           C  
ATOM      8  C   UNK     0      -0.397  -1.940   1.498  1.00  0.00           C  
ATOM      9  N   UNK     0      -1.265  -1.944   2.567  1.00  0.00           N  
ATOM     10  C   UNK     0      -1.893  -0.787   2.500  1.00  0.00           C  
ATOM     11  N   UNK     0      -1.479  -0.043   1.435  1.00  0.00           N  
ATOM     12  H   UNK     0      -0.160   3.025   0.104  1.00  0.00           H  
ATOM     13  H   UNK     0      -0.834   2.267  -1.153  1.00  0.00           H  
ATOM     14  H   UNK     0       1.257   1.288   0.605  1.00  0.00           H  
ATOM     15  H   UNK     0       1.020  -0.921  -0.682  1.00  0.00           H  
ATOM     16  H   UNK     0      -0.491  -0.304  -1.326  1.00  0.00           H  
ATOM     17  H   UNK     0       0.253  -2.782   1.298  1.00  0.00           H  
ATOM     18  H   UNK     0       2.953   0.499  -0.722  1.00  0.00           H  
ATOM     19  H   UNK     0      -1.706   0.910   1.166  1.00  0.00           H  
ATOM     20  H   UNK     0      -2.648  -0.439   3.192  1.00  0.00           H  
CONECT    1   13    2   12                                            
CONECT    2    3    6    1   14                                       
CONECT    3    4    5    2                                            
CONECT    4    3                                                      
CONECT    5    3   18                                                 
CONECT    6   16   15    2    7                                       
CONECT    7    6   11    8                                            
CONECT    8    7   17    9                                            
CONECT    9    8   10                                                 
CONECT   10   11    9   20                                            
CONECT   11    7   19   10                                            
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    6                                                      
CONECT   16    6                                                      
CONECT   17    8                                                      
CONECT   18    5                                                      
CONECT   19   11                                                      
CONECT   20   10                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END