mol="1QQ" Charge="0"
lab="C42"	NH="0" 
lab="C44"	NH="0" 
lab="C46"	NH="1" 
lab="C48"	NH="3" 
lab="C47"	NH="2" 
lab="C49"	NH="3" 
lab="O45"	NH="0" 
lab="O43"	NH="0" 
lab="OXT"	NH="1" 
