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