1mol="KNI" Charge="0" 2lab="C1" NH="1" 3lab="C2" NH="1" 4lab="C3" NH="0" 5lab="C4" NH="0" 6lab="C5" NH="1" 7lab="C6" NH="0" 8lab="C7" NH="1" 9lab="C8" NH="1" 10lab="C9" NH="1" 11lab="C10" NH="2" 12lab="C11" NH="0" 13lab="N1" NH="0" 14lab="O1" NH="0" 15lab="O3" NH="0" 16lab="N2" NH="1" 17lab="C26" NH="1" 18lab="C12" NH="2" 19lab="S1" NH="0" 20lab="C27" NH="3" 21lab="C13" NH="0" 22lab="O6" NH="0" 23lab="C17" NH="0" 24lab="N3" NH="1" 25lab="O4" NH="0" 26lab="C15" NH="1" 27lab="C28" NH="0" 28lab="C16" NH="2" 29lab="C31" NH="1" 30lab="C14" NH="1" 31lab="O2" NH="1" 32lab="C29" NH="1" 33lab="C33" NH="1" 34lab="C30" NH="1" 35lab="C32" NH="1" 36lab="N4" NH="0" 37lab="C20" NH="2" 38lab="C18" NH="1" 39lab="C19" NH="2" 40lab="S2" NH="0" 41lab="C21" NH="0" 42lab="O5" NH="0" 43lab="N5" NH="1" 44lab="C22" NH="0" 45lab="C23" NH="3" 46lab="C24" NH="3" 47lab="C25" NH="3" 48