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