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