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