mol="TK4" Charge="0"
lab="C1"	NH="0" 
lab="C2"	NH="0" 
lab="C3"	NH="1" 
lab="C4"	NH="1" 
lab="C5"	NH="0" 
lab="C6"	NH="1" 
lab="C7"	NH="1" 
lab="C8"	NH="1" 
lab="C9"	NH="0" 
lab="C10"	NH="0" 
lab="S1"	NH="0" 
lab="O11"	NH="1" 
lab="O12"	NH="0" 
lab="O13"	NH="0" 
lab="N2"	NH="1" 
lab="C21"	NH="0" 
lab="O2"	NH="0" 
lab="C22"	NH="3" 
lab="S5"	NH="0" 
lab="O51"	NH="1" 
lab="O52"	NH="0" 
lab="O53"	NH="0" 
