mol="45K" Charge="0"
lab="N1"	NH="0" 
lab="N2"	NH="1" 
lab="N3"	NH="1" 
lab="OAA"	NH="0" 
lab="OAB"	NH="0" 
lab="OAC"	NH="0" 
lab="CAD"	NH="1" 
lab="CAE"	NH="1" 
lab="CAF"	NH="1" 
lab="CAG"	NH="1" 
lab="CAH"	NH="1" 
lab="CAI"	NH="1" 
lab="CAJ"	NH="1" 
lab="CAK"	NH="2" 
lab="CAL"	NH="2" 
lab="SAP"	NH="0" 
lab="CAQ"	NH="0" 
lab="CAR"	NH="0" 
lab="CAS"	NH="0" 
lab="CAT"	NH="0" 
lab="CAU"	NH="0" 
lab="CAV"	NH="0" 
lab="CAW"	NH="0" 
lab="CAX"	NH="0" 
lab="CAY"	NH="0" 
lab="SAZ"	NH="0" 
