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