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