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