mol="OTD" Charge="0"
lab="N1"	NH="1" 
lab="N3"	NH="1" 
lab="C4"	NH="0" 
lab="C5"	NH="1" 
lab="C6"	NH="1" 
lab="O61"	NH="0" 
lab="C61"	NH="0" 
lab="O62"	NH="1" 
lab="C41"	NH="0" 
lab="O42"	NH="1" 
lab="O41"	NH="0" 
lab="C2"	NH="0" 
lab="O2"	NH="0" 
