mol="3WW" Charge="0"
lab="N6"	NH="0" 
lab="N2"	NH="2" 
lab="C29"	NH="1" 
lab="C30"	NH="2" 
lab="C31"	NH="0" 
lab="C32"	NH="0" 
lab="C33"	NH="1" 
lab="C34"	NH="1" 
lab="C35"	NH="1" 
lab="C36"	NH="1" 
lab="C37"	NH="1" 
lab="S1"	NH="0" 
lab="C38"	NH="1" 
lab="C39"	NH="1" 
