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