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