mol="PQE" Charge="0"
lab="O47"	NH="1" 
lab="C68"	NH="2" 
lab="C52"	NH="2" 
lab="O70"	NH="0" 
lab="C55"	NH="2" 
lab="C58"	NH="2" 
lab="O71"	NH="0" 
lab="C61"	NH="2" 
lab="C62"	NH="2" 
lab="C63"	NH="2" 
lab="C66"	NH="2" 
lab="C67"	NH="2" 
lab="O72"	NH="0" 
lab="C65"	NH="2" 
lab="C64"	NH="2" 
lab="O73"	NH="0" 
lab="C60"	NH="2" 
lab="C59"	NH="2" 
lab="O74"	NH="0" 
lab="C57"	NH="2" 
lab="C56"	NH="2" 
lab="O75"	NH="0" 
lab="C54"	NH="2" 
lab="C53"	NH="2" 
lab="O76"	NH="0" 
lab="C51"	NH="2" 
lab="C50"	NH="2" 
lab="C49"	NH="2" 
lab="C48"	NH="2" 
lab="C47"	NH="2" 
lab="C46"	NH="2" 
lab="C45"	NH="2" 
lab="C44"	NH="2" 
lab="C43"	NH="2" 
lab="C42"	NH="2" 
lab="C41"	NH="2" 
lab="C40"	NH="3" 
