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