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