mol="HOQ" Charge="0"
lab="C1"	NH="0" 
lab="O1"	NH="0" 
lab="OXT"	NH="1" 
lab="C2"	NH="1" 
lab="C21"	NH="0" 
lab="O22"	NH="1" 
lab="C3"	NH="1" 
lab="S4"	NH="0" 
lab="C5"	NH="0" 
lab="C51"	NH="3" 
lab="C52"	NH="3" 
lab="C6"	NH="1" 
lab="C8"	NH="0" 
lab="O81"	NH="0" 
lab="O82"	NH="1" 
lab="N7"	NH="1" 
lab="C9"	NH="3" 
lab="C10"	NH="3" 
