mol="DPU" Charge="0"
lab="CA"	NH="2" 
lab="C"	NH="0" 
lab="OI1"	NH="1" 
lab="OI2"	NH="0" 
lab="CB"	NH="2" 
lab="CG"	NH="2" 
lab="CD"	NH="2" 
lab="CE"	NH="2" 
lab="CZ"	NH="1" 
lab="CH"	NH="1" 
lab="CS"	NH="3" 
lab="N1"	NH="1" 
lab="N2"	NH="2" 
lab="CN1"	NH="0" 
lab="O12"	NH="0" 
lab="O2B"	NH="0" 
lab="PB"	NH="0" 
lab="O1B"	NH="0" 
lab="O3B"	NH="1" 
lab="O2A"	NH="1" 
