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