mol="22W" Charge="0"
lab="C"	NH="0" 
lab="N"	NH="2" 
lab="O"	NH="0" 
lab="S"	NH="0" 
lab="CA"	NH="1" 
lab="CB"	NH="1" 
lab="NB"	NH="0" 
lab="CE"	NH="0" 
lab="CF"	NH="0" 
lab="O26"	NH="0" 
lab="C83"	NH="0" 
lab="CD1"	NH="3" 
lab="CG1"	NH="2" 
lab="CG2"	NH="3" 
