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