mol="G85" Charge="0"
lab="C17"	NH="0" 
lab="O19"	NH="0" 
lab="O15"	NH="0" 
lab="C13"	NH="2" 
lab="C4"	NH="0" 
lab="C2"	NH="1" 
lab="C1"	NH="1" 
lab="C10"	NH="1" 
lab="C8"	NH="1" 
lab="C6"	NH="1" 
lab="C31"	NH="0" 
lab="N21"	NH="1" 
lab="O35"	NH="0" 
lab="C12"	NH="3" 
lab="C45"	NH="3" 
lab="C43"	NH="3" 
lab="C23"	NH="1" 
lab="C25"	NH="2" 
lab="C29"	NH="0" 
lab="O27"	NH="0" 
lab="N33"	NH="1" 
lab="C37"	NH="1" 
lab="C39"	NH="0" 
lab="O47"	NH="0" 
lab="C41"	NH="2" 
lab="C51"	NH="0" 
lab="C53"	NH="1" 
lab="C55"	NH="1" 
lab="C7"	NH="1" 
lab="C11"	NH="1" 
lab="C9"	NH="1" 
lab="O86"	NH="0" 
lab="C3"	NH="2" 
lab="C5"	NH="3" 
lab="N49"	NH="1" 
lab="C57"	NH="1" 
lab="C59"	NH="2" 
lab="C61"	NH="1" 
lab="C63"	NH="2" 
lab="C65"	NH="0" 
lab="O66"	NH="0" 
lab="N69"	NH="1" 
lab="C71"	NH="2" 
lab="C73"	NH="2" 
lab="C82"	NH="2" 
lab="C84"	NH="0" 
lab="O88"	NH="0" 
