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