mol="IST" Charge="0"
lab="C2"	NH="3" 
lab="C5"	NH="2" 
lab="C8"	NH="1" 
lab="C10"	NH="3" 
lab="CA1"	NH="1" 
lab="C16"	NH="1" 
lab="O18"	NH="1" 
lab="CA2"	NH="2" 
lab="C23"	NH="0" 
lab="O24"	NH="1" 
lab="O25"	NH="0" 
lab="N11"	NH="2" 
