new index atom name original index 1 C 9 2 C 10 3 C 11 4 C 2 5 C 7 6 C 6 7 C 1 8 N 3 9 O 8 10 O 4 11 O 5 12 H 19 13 H 18 14 H 20 15 H 22 16 H 21 17 H 23 18 H 24 19 H 25 20 H 26 21 H 12 22 H 13 23 H 15 24 H 16 25 H 14 26 H 17