mol="IBQ"	Charge="0"
lab="I01"	NH="0"
lab="O02"	NH="1"
lab="O03"	NH="0"
lab="N04"	NH="0"
lab="N05"	NH="0"
lab="C06"	NH="0"
lab="C07"	NH="1"
lab="C08"	NH="2"
lab="C09"	NH="0"
lab="C10"	NH="0"
lab="C11"	NH="2"
lab="C12"	NH="0"
lab="C13"	NH="0"
lab="C14"	NH="1"
lab="C15"	NH="1"
lab="C16"	NH="0"
lab="C17"	NH="0"
lab="C19"	NH="1"
lab="C18"	NH="1"
lab="C20"	NH="1"
lab="C21"	NH="1"
lab="C22"	NH="0"
lab="C23"	NH="1"
lab="C24"	NH="0"
lab="C26"	NH="3"
lab="C25"	NH="3"
lab="C27"	NH="1"
lab="C29"	NH="1"
lab="C28"	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="1"
lab="C37"	NH="3"
lab="H02"	NH="0"
lab="H371"	NH="0"
lab="H372"	NH="0"
lab="H373"	NH="0"
lab="H111"	NH="0"
lab="H112"	NH="0"
lab="H251"	NH="0"
lab="H252"	NH="0"
lab="H253"	NH="0"
lab="H261"	NH="0"
lab="H262"	NH="0"
lab="H263"	NH="0"
lab="H07"	NH="0"
lab="H081"	NH="0"
lab="H082"	NH="0"
lab="H14"	NH="0"
lab="H15"	NH="0"
lab="H18"	NH="0"
lab="H19"	NH="0"
lab="H21"	NH="0"
lab="H20"	NH="0"
lab="H23"	NH="0"
lab="H27"	NH="0"
lab="H28"	NH="0"
lab="H29"	NH="0"
lab="H30"	NH="0"
lab="H33"	NH="0"
lab="H34"	NH="0"
lab="H32"	NH="0"
lab="H31"	NH="0"
lab="H36"	NH="0"
