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