mol="IHJ" Charge="0"
lab="N01"	NH="0" 
lab="C02"	NH="1" 
lab="N03"	NH="0" 
lab="C05"	NH="0" 
lab="N06"	NH="0" 
lab="C07"	NH="0" 
lab="C08"	NH="0" 
lab="C09"	NH="0" 
lab="N10"	NH="0" 
lab="N11"	NH="1" 
lab="N13"	NH="0" 
lab="C16"	NH="1" 
lab="C17"	NH="2" 
lab="C18"	NH="2" 
lab="C19"	NH="2" 
lab="C20"	NH="2" 
lab="C30"	NH="0" 
lab="C31"	NH="1" 
lab="C32"	NH="1" 
lab="C33"	NH="1" 
lab="C34"	NH="1" 
lab="C35"	NH="0" 
lab="O40"	NH="0" 
lab="C41"	NH="2" 
lab="C42"	NH="2" 
lab="C43"	NH="2" 
lab="N51"	NH="0" 
lab="C52"	NH="2" 
lab="C53"	NH="2" 
lab="N54"	NH="0" 
lab="C55"	NH="2" 
lab="C56"	NH="2" 
lab="C61"	NH="3" 
lab="C12"	NH="0" 
