1mol="PKR" Charge="0" 2lab="N" NH="0" 3lab="CA" NH="1" 4lab="C" NH="0" 5lab="O" NH="0" 6lab="CB" NH="2" 7lab="CG" NH="2" 8lab="CD" NH="2" 9lab="C6" NH="3" 10lab="OXT" NH="1" 11