mol="PDQ" Charge="0"
lab="C1"	NH="0" 
lab="O2"	NH="0" 
lab="C3"	NH="0" 
lab="C4"	NH="1" 
lab="C6"	NH="0" 
lab="F7"	NH="0" 
lab="C8"	NH="0" 
lab="C10"	NH="0" 
lab="C12"	NH="0" 
lab="N13"	NH="0" 
lab="C15"	NH="0" 
lab="O16"	NH="0" 
lab="N17"	NH="0" 
lab="C18"	NH="1" 
lab="C20"	NH="2" 
lab="C23"	NH="2" 
lab="N26"	NH="2" 
lab="C29"	NH="3" 
lab="N33"	NH="0" 
lab="C34"	NH="2" 
lab="C37"	NH="1" 
lab="C39"	NH="2" 
lab="C42"	NH="2" 
lab="C45"	NH="1" 
lab="C47"	NH="3" 
lab="N51"	NH="2" 
