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