mol="PBC" Charge="0"
lab="B"	NH="0" 
lab="O1"	NH="1" 
lab="O2"	NH="1" 
lab="CG1"	NH="1" 
lab="CD1"	NH="1" 
lab="CG2"	NH="1" 
lab="CB2"	NH="1" 
lab="CA"	NH="0" 
lab="CB1"	NH="1" 
