new index atom name original index 1 C 1 2 C 3 3 C 2 4 C 4 5 C 5 6 C 6 7 C 7 8 C 8 9 N 9 10 N 10 11 O 11 12 O 12 13 O 13 14 O 14 15 O 15 16 P 16 17 H 17 18 H 18 19 H 19 20 H 21 21 H 22 22 H 20 23 H 23 24 H 24 25 H 25 26 H 26 27 H 27 28 H 28 29 H 29