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