new index atom name original index 1 C 6 2 C 7 3 C 4 4 C 5 5 C 3 6 C 8 7 O 1 8 O 2 9 H 16 10 H 14 11 H 15 12 H 19 13 H 18 14 H 17 15 H 10 16 H 11 17 H 12 18 H 13 19 H 9 20 H 20