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