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