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