mol="28K" Charge="0"
lab="CAH"	NH="1" 
lab="CBP"	NH="3" 
lab="CAG"	NH="0" 
lab="OBO"	NH="0" 
lab="CBN"	NH="2" 
lab="CAF"	NH="1" 
lab="CAE"	NH="1" 
lab="CAD"	NH="0" 
lab="OBM"	NH="0" 
lab="OXT"	NH="1" 
lab="O1"	NH="1" 
