mol="TM3" Charge="0"
lab="C1"	NH="2" 
lab="C2"	NH="2" 
lab="N3"	NH="0" 
lab="C4"	NH="2" 
lab="C5"	NH="2" 
lab="O6"	NH="0" 
lab="C13"	NH="2" 
lab="C14"	NH="2" 
lab="C15"	NH="2" 
lab="N16"	NH="1" 
lab="C17"	NH="0" 
lab="N23"	NH="0" 
lab="C24"	NH="0" 
lab="C25"	NH="0" 
lab="N26"	NH="0" 
lab="C32"	NH="1" 
lab="C33"	NH="0" 
lab="C34"	NH="1" 
lab="C35"	NH="1" 
lab="C41"	NH="2" 
lab="C42"	NH="0" 
lab="C45"	NH="0" 
lab="C46"	NH="1" 
lab="C47"	NH="1" 
lab="C48"	NH="0" 
lab="N49"	NH="0" 
lab="O56"	NH="1" 
lab="C58"	NH="3" 
lab="C60"	NH="2" 
lab="N61"	NH="1" 
lab="C62"	NH="0" 
lab="C66"	NH="1" 
lab="C67"	NH="0" 
lab="C68"	NH="1" 
lab="C69"	NH="1" 
lab="C70"	NH="0" 
lab="C77"	NH="3" 
lab="C79"	NH="2" 
lab="C80"	NH="2" 
lab="C81"	NH="2" 
lab="O82"	NH="1" 
