new index atom name original index 1 C 5 2 C 6 3 C 2 4 C 7 5 C 3 6 N 1 7 N 9 8 O 8 9 O 4 10 O 10 11 H 14 12 H 15 13 H 16 14 H 17 15 H 13 16 H 11 17 H 12 18 H 18 19 H 19 20 H 20