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