mol="2JD" Charge="0"
lab="C16"	NH="0" 
lab="O3"	NH="0" 
lab="C17"	NH="1" 
lab="O4"	NH="1" 
lab="C18"	NH="0" 
lab="C19"	NH="2" 
lab="C20"	NH="3" 
lab="C21"	NH="3" 
lab="P"	NH="0" 
lab="O1P"	NH="0" 
lab="O2P"	NH="0" 
lab="O3P"	NH="1" 
lab="OXT"	NH="1" 
lab="O1"	NH="1" 
