new index atom name original index 1 C 7 2 C 8 3 C 9 4 C 2 5 C 4 6 C 3 7 C 5 8 C 6 9 O 1 10 H 17 11 H 16 12 H 15 13 H 19 14 H 18 15 H 20 16 H 22 17 H 21 18 H 23 19 H 10 20 H 11 21 H 14 22 H 12 23 H 13