mol="PIS" Charge="-1"
lab="P1"	NH="0" 
lab="O1"	NH="0" 
lab="P2"	NH="0" 
lab="S1"	NH="0" 
lab="O2"	NH="1" 
lab="O3"	NH="1" 
lab="O4"	NH="1" 
lab="O5"	NH="0" 
lab="O6"	NH="0" 
