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