mol="IXS" Charge="0"
lab="O2"	NH="0" 
lab="S1"	NH="0" 
lab="O1"	NH="0" 
lab="C22"	NH="3" 
lab="N24"	NH="0" 
lab="C29"	NH="3" 
lab="C19"	NH="0" 
lab="C20"	NH="1" 
lab="C15"	NH="0" 
lab="C14"	NH="0" 
lab="O5"	NH="0" 
lab="N13"	NH="1" 
lab="C12"	NH="1" 
lab="C50"	NH="3" 
lab="C5"	NH="0" 
lab="C6"	NH="1" 
lab="C7"	NH="1" 
lab="C4"	NH="1" 
lab="C3"	NH="1" 
lab="C2"	NH="0" 
lab="F1"	NH="0" 
lab="C18"	NH="1" 
lab="C17"	NH="0" 
lab="C16"	NH="1" 
lab="C34"	NH="0" 
lab="O4"	NH="0" 
lab="N35"	NH="1" 
lab="C36"	NH="1" 
lab="C56"	NH="2" 
lab="C58"	NH="0" 
lab="C65"	NH="1" 
lab="C64"	NH="1" 
lab="C63"	NH="1" 
lab="C62"	NH="1" 
lab="C61"	NH="1" 
lab="C37"	NH="2" 
lab="N38"	NH="1" 
lab="C39"	NH="1" 
lab="C8"	NH="3" 
lab="C1"	NH="0" 
lab="O3"	NH="0" 
lab="N9"	NH="1" 
lab="C10"	NH="2" 
lab="C51"	NH="1" 
lab="C52"	NH="3" 
lab="C53"	NH="3" 
