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