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