0631 -0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7776 -1.2853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 -0.2690 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 1 5 1 0 6 7 3 0 3 6 1 0 1 8 1 0 5 9 1 0 M END