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