mol="J54" Charge="0"
lab="O02"	NH="0" 
lab="C06"	NH="0" 
lab="C05"	NH="1" 
lab="O18"	NH="1" 
lab="C04"	NH="2" 
lab="N02"	NH="1" 
lab="C03"	NH="0" 
lab="O01"	NH="0" 
lab="N01"	NH="1" 
lab="C02"	NH="2" 
lab="C01"	NH="0" 
lab="CE1"	NH="1" 
lab="CD1"	NH="1" 
lab="CG"	NH="1" 
lab="CD2"	NH="1" 
lab="CE2"	NH="1" 
lab="OXT"	NH="1" 
