mol="EGR" Charge="0"
lab="C01"	NH="3" 
lab="C02"	NH="2" 
lab="O03"	NH="0" 
lab="C04"	NH="0" 
lab="O05"	NH="0" 
lab="C06"	NH="0" 
lab="C07"	NH="1" 
lab="C08"	NH="0" 
lab="O09"	NH="1" 
lab="C10"	NH="0" 
lab="O11"	NH="1" 
lab="C12"	NH="0" 
lab="O13"	NH="1" 
lab="C14"	NH="1" 
