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