mol="ASX" Charge="0"
lab="N"	NH="2" 
lab="CA"	NH="1" 
lab="C"	NH="0" 
lab="O"	NH="0" 
lab="CB"	NH="2" 
lab="CG"	NH="0" 
lab="XD1"	NH="0" 
lab="XD2"	NH="0" 
lab="OXT"	NH="1" 
