mol="3X9" Charge="0"
lab="CAC"	NH="3" 
lab="CAS"	NH="0" 
lab="CAD"	NH="3" 
lab="NAQ"	NH="0" 
lab="OAH"	NH="1" 
lab="CAR"	NH="0" 
lab="CAA"	NH="3" 
lab="CAB"	NH="3" 
lab="CAI"	NH="1" 
lab="CAO"	NH="0" 
lab="CAJ"	NH="2" 
lab="SAL"	NH="0" 
lab="N"	NH="2" 
lab="CA"	NH="1" 
lab="CB"	NH="2" 
lab="SG"	NH="0" 
lab="C"	NH="0" 
lab="O"	NH="0" 
lab="OXT"	NH="1" 
