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