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