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