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