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