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