mol="1TX" Charge="0"
lab="C13"	NH="0" 
lab="C21"	NH="2" 
lab="C22"	NH="2" 
lab="C24"	NH="2" 
lab="C26"	NH="3" 
lab="O8"	NH="0" 
lab="C14"	NH="1" 
lab="N7"	NH="2" 
lab="C23"	NH="2" 
lab="C25"	NH="0" 
lab="O13"	NH="0" 
lab="O14"	NH="0" 
lab="OXT"	NH="1" 
