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