mol="ISA" Charge="0"
lab="I"	NH="0" 
lab="CZ"	NH="0" 
lab="CE1"	NH="1" 
lab="CD1"	NH="1" 
lab="CE2"	NH="1" 
lab="CD2"	NH="1" 
lab="CG"	NH="0" 
lab="C4"	NH="2" 
lab="C3"	NH="1" 
lab="S3"	NH="1" 
lab="C2"	NH="0" 
lab="O3"	NH="0" 
lab="O2"	NH="1" 
