mol="CAT" Charge="1"
lab="C1"	NH="2" 
lab="C2"	NH="2" 
lab="C3"	NH="2" 
lab="C4"	NH="2" 
lab="C5"	NH="2" 
lab="C6"	NH="2" 
lab="C7"	NH="2" 
lab="C8"	NH="2" 
lab="C9"	NH="2" 
lab="C10"	NH="2" 
lab="C11"	NH="2" 
lab="C12"	NH="3" 
lab="CA1"	NH="3" 
lab="CB1"	NH="3" 
lab="CC1"	NH="3" 
lab="NE1"	NH="0" 
