mol="IDS" Charge="0"
lab="C1"	NH="1" 
lab="C2"	NH="1" 
lab="C3"	NH="1" 
lab="C4"	NH="1" 
lab="C5"	NH="1" 
lab="C6"	NH="0" 
lab="O1"	NH="1" 
lab="O2"	NH="0" 
lab="O3"	NH="1" 
lab="O4"	NH="1" 
lab="O5"	NH="0" 
lab="O61"	NH="0" 
lab="O62"	NH="1" 
lab="S"	NH="0" 
lab="O1S"	NH="0" 
lab="O2S"	NH="0" 
lab="O3S"	NH="1" 
