mol="IOM" Charge="0"
lab="NA"	NH="2" 
lab="CA"	NH="1" 
lab="NB"	NH="2" 
lab="NC"	NH="0" 
lab="CB"	NH="3" 
lab="CC"	NH="2" 
lab="CD"	NH="0" 
lab="O1"	NH="0" 
lab="O2"	NH="1" 
