mol="0XX" Charge="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="0" 
lab="C9"	NH="1" 
lab="C11"	NH="1" 
lab="C12"	NH="1" 
lab="C13"	NH="1" 
lab="N16"	NH="0" 
lab="O78"	NH="0" 
lab="C75"	NH="0" 
lab="N76"	NH="1" 
lab="O77"	NH="1" 
lab="C54"	NH="1" 
lab="N55"	NH="0" 
lab="S60"	NH="0" 
lab="O62"	NH="0" 
lab="C63"	NH="0" 
lab="C68"	NH="1" 
lab="C67"	NH="1" 
lab="C66"	NH="0" 
lab="C69"	NH="0" 
lab="C74"	NH="1" 
lab="C73"	NH="1" 
lab="C72"	NH="1" 
lab="C71"	NH="1" 
lab="C70"	NH="1" 
lab="C65"	NH="1" 
lab="C64"	NH="1" 
lab="O61"	NH="0" 
lab="O56"	NH="0" 
lab="C57"	NH="1" 
lab="C59"	NH="3" 
lab="C58"	NH="3" 
lab="C51"	NH="2" 
lab="C50"	NH="2" 
lab="N49"	NH="1" 
lab="C48"	NH="0" 
lab="O53"	NH="0" 
lab="C47"	NH="2" 
lab="C46"	NH="2" 
lab="C45"	NH="2" 
lab="N44"	NH="1" 
lab="C43"	NH="0" 
lab="O52"	NH="0" 
lab="C39"	NH="0" 
lab="C38"	NH="1" 
lab="C40"	NH="1" 
lab="C41"	NH="1" 
lab="C42"	NH="1" 
lab="C37"	NH="0" 
lab="C34"	NH="0" 
lab="O35"	NH="0" 
lab="N33"	NH="1" 
lab="C32"	NH="2" 
lab="C31"	NH="2" 
lab="C30"	NH="2" 
lab="C29"	NH="0" 
lab="O36"	NH="0" 
lab="N28"	NH="1" 
lab="C27"	NH="2" 
lab="C26"	NH="2" 
lab="C20"	NH="1" 
lab="C21"	NH="0" 
lab="O25"	NH="0" 
lab="N22"	NH="1" 
lab="O23"	NH="1" 
lab="O17"	NH="0" 
lab="C19"	NH="1" 
lab="C24"	NH="3" 
lab="C23"	NH="3" 
lab="S1"	NH="0" 
lab="O14"	NH="0" 
lab="O15"	NH="0" 
lab="C10"	NH="1" 
