mol="CCO" Charge="0"
lab="C1"	NH="0" 
lab="C2"	NH="1" 
lab="C3"	NH="1" 
lab="C4"	NH="1" 
lab="C5"	NH="0" 
lab="C6"	NH="1" 
lab="CL5"	NH="0" 
lab="O1"	NH="0" 
lab="C2A"	NH="0" 
lab="S3"	NH="0" 
lab="N3"	NH="0" 
lab="C1A"	NH="0" 
lab="N2"	NH="0" 
lab="C1B"	NH="2" 
lab="C"	NH="0" 
lab="O2"	NH="1" 
lab="O3"	NH="0" 
