mol="WY4" Charge="0"
lab="S1"	NH="0" 
lab="C2"	NH="2" 
lab="C3"	NH="0" 
lab="N4"	NH="0" 
lab="C5"	NH="1" 
lab="C6"	NH="0" 
lab="C7"	NH="1" 
lab="O8"	NH="0" 
lab="C31"	NH="0" 
lab="O32"	NH="0" 
lab="O33"	NH="1" 
lab="C61"	NH="1" 
lab="C62"	NH="0" 
lab="N63"	NH="0" 
lab="C64"	NH="0" 
lab="N65"	NH="0" 
lab="C66"	NH="1" 
lab="C67"	NH="2" 
lab="O68"	NH="0" 
lab="C69"	NH="2" 
lab="C70"	NH="2" 
