mol="IKR" Charge="0"
lab="C1"	NH="0" 
lab="C2"	NH="0" 
lab="C3"	NH="1" 
lab="C4"	NH="0" 
lab="C5"	NH="0" 
lab="C6"	NH="1" 
lab="C11"	NH="3" 
lab="O15"	NH="0" 
lab="C16"	NH="2" 
lab="C17"	NH="0" 
lab="C20"	NH="0" 
lab="C21"	NH="1" 
lab="C22"	NH="1" 
lab="C23"	NH="1" 
lab="C24"	NH="1" 
lab="C29"	NH="0" 
lab="C30"	NH="0" 
lab="O31"	NH="0" 
lab="C32"	NH="3" 
lab="O36"	NH="0" 
lab="N37"	NH="0" 
lab="O38"	NH="0" 
lab="C39"	NH="3" 
lab="C40"	NH="3" 
lab="I1"	NH="0" 
