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