new index atom name original index 1 C 6 2 C 7 3 C 1 4 C 2 5 C 3 6 C 4 7 N 8 8 O 5 9 O 9 10 H 16 11 H 15 12 H 14 13 H 18 14 H 17 15 H 19 16 H 10 17 H 11 18 H 12 19 H 13 20 H 20 21 H 21 22 H 22