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