mol="IS2" Charge="0"
lab="C1"	NH="0" 
lab="C2"	NH="1" 
lab="C3"	NH="1" 
lab="C4"	NH="0" 
lab="C5"	NH="1" 
lab="C6"	NH="1" 
lab="N11"	NH="1" 
lab="C12"	NH="0" 
lab="O13"	NH="0" 
lab="P14"	NH="0" 
lab="O15"	NH="1" 
lab="O16"	NH="1" 
lab="O17"	NH="0" 
lab="C18"	NH="2" 
lab="C19"	NH="3" 
