mol="45H"	Charge="0"
lab="O01"	NH="0"
lab="O02"	NH="0"
lab="C03"	NH="0"
lab="C04"	NH="0"
lab="C05"	NH="2"
lab="C06"	NH="2"
lab="C07"	NH="0"
lab="C08"	NH="0"
lab="C09"	NH="2"
lab="C10"	NH="2"
lab="C11"	NH="3"
lab="C12"	NH="3"
lab="C13"	NH="3"
lab="C14"	NH="3"
lab="C15"	NH="0"
lab="C16"	NH="0"
lab="C17"	NH="0"
lab="C18"	NH="0"
lab="C19"	NH="1"
lab="C20"	NH="1"
lab="C21"	NH="3"
lab="C22"	NH="3"
lab="C23"	NH="1"
lab="C24"	NH="1"
lab="C25"	NH="0"
lab="C26"	NH="0"
lab="C27"	NH="3"
lab="C28"	NH="3"
lab="C29"	NH="1"
lab="C30"	NH="1"
lab="C31"	NH="1"
lab="C32"	NH="1"
lab="C33"	NH="1"
lab="C34"	NH="1"
lab="C35"	NH="0"
lab="C36"	NH="0"
lab="C37"	NH="1"
lab="C38"	NH="1"
lab="C39"	NH="3"
lab="C40"	NH="3"
lab="C41"	NH="1"
lab="C42"	NH="1"
lab="H052"	NH="0"
lab="H051"	NH="0"
lab="H061"	NH="0"
lab="H062"	NH="0"
lab="H091"	NH="0"
lab="H092"	NH="0"
lab="H101"	NH="0"
lab="H102"	NH="0"
lab="H111"	NH="0"
lab="H113"	NH="0"
lab="H112"	NH="0"
lab="H123"	NH="0"
lab="H121"	NH="0"
lab="H122"	NH="0"
lab="H131"	NH="0"
lab="H133"	NH="0"
lab="H132"	NH="0"
lab="H143"	NH="0"
lab="H142"	NH="0"
lab="H141"	NH="0"
lab="H191"	NH="0"
lab="H201"	NH="0"
lab="H211"	NH="0"
lab="H213"	NH="0"
lab="H212"	NH="0"
lab="H223"	NH="0"
lab="H222"	NH="0"
lab="H221"	NH="0"
lab="H231"	NH="0"
lab="H241"	NH="0"
lab="H271"	NH="0"
lab="H272"	NH="0"
lab="H273"	NH="0"
lab="H283"	NH="0"
lab="H282"	NH="0"
lab="H281"	NH="0"
lab="H291"	NH="0"
lab="H301"	NH="0"
lab="H311"	NH="0"
lab="H321"	NH="0"
lab="H331"	NH="0"
lab="H341"	NH="0"
lab="H371"	NH="0"
lab="H381"	NH="0"
lab="H392"	NH="0"
lab="H393"	NH="0"
lab="H391"	NH="0"
lab="H402"	NH="0"
lab="H403"	NH="0"
lab="H401"	NH="0"
lab="H411"	NH="0"
lab="H421"	NH="0"
