mol="CDI" Charge="0"
lab="C4"	NH="2" 
lab="C3"	NH="0" 
lab="OB4"	NH="0" 
lab="PB"	NH="0" 
lab="OB2"	NH="1" 
lab="OB3"	NH="0" 
lab="PA"	NH="0" 
lab="OA3"	NH="0" 
lab="OA1"	NH="1" 
lab="OA2"	NH="0" 
lab="C1"	NH="2" 
lab="C2"	NH="1" 
lab="O1"	NH="1" 
lab="C5"	NH="3" 
lab="O2"	NH="1" 
lab="OB1"	NH="0" 
