mol="IIB" Charge="0"
lab="C1"	NH="1" 
lab="C2"	NH="0" 
lab="C3"	NH="0" 
lab="C4"	NH="0" 
lab="C5"	NH="1" 
lab="C6"	NH="1" 
lab="N7"	NH="0" 
lab="C8"	NH="0" 
lab="C9"	NH="0" 
lab="C10"	NH="0" 
lab="N11"	NH="1" 
lab="C12"	NH="1" 
lab="C13"	NH="2" 
lab="C14"	NH="2" 
lab="N15"	NH="0" 
lab="C16"	NH="2" 
lab="C17"	NH="2" 
lab="C27"	NH="1" 
lab="C28"	NH="3" 
lab="C32"	NH="3" 
lab="C37"	NH="2" 
lab="C38"	NH="0" 
lab="N41"	NH="0" 
lab="O42"	NH="0" 
lab="C43"	NH="0" 
lab="C44"	NH="1" 
lab="C45"	NH="0" 
lab="S46"	NH="0" 
lab="C47"	NH="0" 
lab="C48"	NH="1" 
lab="C49"	NH="1" 
lab="CL50"	NH="0" 
lab="O56"	NH="0" 
lab="C7"	NH="0" 
lab="N1"	NH="0" 
lab="C11"	NH="3" 
