new index atom name original index 1 C 1 2 C 2 3 C 3 4 C 4 5 C 6 6 C 7 7 C 5 8 C 10 9 C 8 10 C 9 11 N 11 12 N 12 13 H 13 14 H 14 15 H 15 16 H 16 17 H 18 18 H 19 19 H 20 20 H 21 21 H 17 22 H 22 23 H 23 24 H 24