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