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