mol="S2D" Charge="0"
lab="O2"	NH="0" 
lab="C4"	NH="0" 
lab="C27"	NH="0" 
lab="C32"	NH="1" 
lab="C31"	NH="1" 
lab="C30"	NH="1" 
lab="C29"	NH="1" 
lab="C28"	NH="1" 
lab="N1"	NH="1" 
lab="C2"	NH="1" 
lab="C3"	NH="3" 
lab="C1"	NH="0" 
lab="O1"	NH="0" 
lab="OXT"	NH="1" 
