mol="3A0" Charge="0"
lab="N3"	NH="1" 
lab="O4"	NH="0" 
lab="C21"	NH="1" 
lab="C22"	NH="0" 
lab="C33"	NH="2" 
lab="C34"	NH="1" 
lab="C35"	NH="3" 
lab="C36"	NH="2" 
lab="C37"	NH="2" 
lab="OXT"	NH="1" 
