examples/chaperong_tutorial3_inputs/IQK.pdb
 OpenBabel04272615363D

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M  END
>  <REMARK>
 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IQK A 701                 

>  <HET>
 IQK  A 701      34                                                       

>  <HETNAM>
     IQK N,N'-NAPHTHALENE-1,4-DIYLBIS(4-                                  
   2 IQK  METHOXYBENZENESULFONAMIDE)                                      

>  <FORMUL>
   2  IQK    C24 H22 N2 O6 S2                                             

$$$$
