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