mol="LIN" Charge="0"
lab="C1I"	NH="0" 
lab="C2I"	NH="2" 
lab="C3I"	NH="0" 
lab="C4I"	NH="3" 
lab="O1I"	NH="0" 
lab="O2I"	NH="0" 
lab="O3I"	NH="1" 
