mol="CH4" Charge="0"
lab="CA"	NH="1" 
lab="CB1"	NH="2" 
lab="NG1"	NH="1" 
lab="CD1"	NH="2" 
lab="CE1"	NH="2" 
lab="NZ1"	NH="2" 
lab="CB2"	NH="2" 
lab="NG2"	NH="1" 
lab="CD2"	NH="2" 
lab="CE2"	NH="2" 
lab="NZ2"	NH="2" 
lab="C"	NH="1" 
lab="O"	NH="0" 
