new index atom name original index 1 C 1 2 C 9 3 C 11 4 C 5 5 C 3 6 O 4 7 O 7 8 O 2 9 O 8 10 O 10 11 P 6 12 H 14 13 H 12 14 H 13 15 H 19 16 H 18 17 H 17 18 H 20 19 H 22 20 H 21 21 H 15 22 H 16