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