mol="HMB" Charge="0"
lab="CA"	NH="2" 
lab="CB"	NH="2" 
lab="CG"	NH="1" 
lab="CE"	NH="3" 
lab="C"	NH="0" 
lab="OD1"	NH="1" 
lab="OD2"	NH="0" 
lab="O"	NH="0" 
lab="O4"	NH="1" 
