mol="0TR" Charge="0"
lab="CA1"	NH="0" 
lab="OA1"	NH="0" 
lab="CA2"	NH="0" 
lab="OA2"	NH="1" 
lab="CA3"	NH="1" 
lab="CB3"	NH="1" 
lab="CA5"	NH="1" 
lab="CA6"	NH="1" 
lab="CAE"	NH="1" 
