mol="B31" Charge="0"
lab="C01"	NH="1" 
lab="C02"	NH="2" 
lab="C03"	NH="1" 
lab="C04"	NH="1" 
lab="C05"	NH="1" 
lab="C06"	NH="1" 
lab="N01"	NH="1" 
lab="N03"	NH="2" 
lab="O04"	NH="0" 
lab="O05"	NH="0" 
lab="O06"	NH="1" 
lab="C11"	NH="1" 
lab="C12"	NH="1" 
lab="C13"	NH="1" 
lab="C14"	NH="1" 
lab="C15"	NH="1" 
lab="C16"	NH="2" 
lab="N12"	NH="2" 
lab="N16"	NH="2" 
lab="O11"	NH="0" 
lab="O13"	NH="1" 
lab="O14"	NH="1" 
lab="C21"	NH="1" 
lab="C22"	NH="1" 
lab="C23"	NH="1" 
lab="C24"	NH="1" 
lab="C25"	NH="2" 
lab="O21"	NH="0" 
lab="O22"	NH="1" 
lab="O23"	NH="1" 
lab="O25"	NH="1" 
lab="C51"	NH="0" 
lab="C52"	NH="1" 
lab="C53"	NH="2" 
lab="C54"	NH="2" 
lab="N54"	NH="2" 
lab="O51"	NH="0" 
lab="O52"	NH="1" 
