1mol="ISO" Charge="0" 2lab="C1" NH="0" 3lab="N1" NH="2" 4lab="C2" NH="1" 5lab="C3" NH="1" 6lab="C4" NH="0" 7lab="C5" NH="1" 8lab="C6" NH="1" 9lab="C1'" NH="1" 10lab="C2'" NH="3" 11lab="C3'" NH="3" 12