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