mol="1XW" Charge="0"
lab="N19"	NH="1" 
lab="C20"	NH="2" 
lab="C21"	NH="1" 
lab="C23"	NH="2" 
lab="C24"	NH="1" 
lab="C26"	NH="2" 
lab="C27"	NH="1" 
lab="N28"	NH="0" 
lab="C29"	NH="2" 
lab="C30"	NH="1" 
lab="C32"	NH="0" 
lab="O33"	NH="0" 
lab="OXT"	NH="1" 
