new index atom name original index 1 C 9 2 C 7 3 C 6 4 C 10 5 C 8 6 N 5 7 O 2 8 O 4 9 O 1 10 O 3 11 H 17 12 H 16 13 H 15 14 H 12 15 H 13 16 H 11 17 H 14 18 H 19 19 H 18