mol="ML3" Charge="1"
lab="N"	NH="2" 
lab="CA"	NH="1" 
lab="CB"	NH="2" 
lab="SG"	NH="0" 
lab="CD"	NH="2" 
lab="CE"	NH="2" 
lab="NZ"	NH="0" 
lab="CM1"	NH="3" 
lab="CM2"	NH="3" 
lab="CM3"	NH="3" 
lab="C"	NH="0" 
lab="O"	NH="0" 
lab="OXT"	NH="1" 
