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