x	y	z	Uiso*/Ueq
Br1	0.40648 (3)	0.39876 (3)	0.231050 (17)	0.06785 (11)
O1	0.49655 (17)	0.95432 (17)	0.64205 (11)	0.0577 (4)
N1	0.21863 (16)	0.64109 (19)	0.42594 (13)	0.0453 (4)
N2	0.54742 (15)	0.78896 (16)	0.52363 (11)	0.0395 (3)
N3	0.32605 (16)	0.81244 (17)	0.54674 (11)	0.0417 (3)
C1	0.2477 (2)	0.5495 (2)	0.35479 (15)	0.0490 (4)
H1	0.1744	0.4972	0.3188	0.059*
C2	0.3815 (2)	0.53039 (19)	0.33326 (13)	0.0435 (4)
C3	0.4981 (2)	0.60309 (19)	0.38454 (13)	0.0399 (4)
H3	0.5887	0.5895	0.3708	0.048*
C4	0.46792 (17)	0.69616 (18)	0.45684 (12)	0.0346 (3)
C5	0.32815 (18)	0.71031 (18)	0.47294 (12)	0.0365 (3)
C6	0.6938 (2)	0.8150 (2)	0.53701 (16)	0.0503 (5)
H6	0.7302	0.8828	0.5845	0.060*
C7	0.7806 (2)	0.7510 (2)	0.48776 (17)	0.0529 (5)
C8	0.8709 (3)	0.6872 (4)	0.4413 (2)	0.0750 (8)
H81	0.916 (3)	0.602 (2)	0.467 (3)	0.106 (12)*
H82	0.890 (3)	0.722 (3)	0.3788 (13)	0.089 (10)*
C9	0.4605 (2)	0.8628 (2)	0.57909 (14)	0.0416 (4)
C10	0.2020 (2)	0.8584 (2)	0.58740 (16)	0.0509 (5)
H10A	0.1252	0.8736	0.5328	0.061*
H10B	0.2218	0.9494	0.6217	0.061*
C11	0.1586 (2)	0.7538 (2)	0.65707 (15)	0.0521 (5)
C12	0.1208 (3)	0.6715 (3)	0.71186 (19)	0.0694 (7)
H12	0.093 (3)	0.601 (2)	0.7550 (18)	0.088 (11)*