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