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