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