x	y	z	Uiso*/Ueq
Br	0.168343 (18)	0.871933 (16)	0.50535 (3)	0.03689 (11)
O1	0.5587 (2)	0.7918 (2)	0.1347 (5)	0.0893 (10)
O2	0.42824 (18)	0.81569 (14)	0.2331 (4)	0.0661 (7)
H2O	0.3800	0.7873	0.2448	0.079*
O1W	0.28626 (17)	0.7310 (2)	0.3254 (3)	0.0707 (8)
H1W1	0.254 (3)	0.764 (3)	0.372 (5)	0.106*
H1W2	0.251 (3)	0.714 (3)	0.242 (4)	0.106*
N1	0.79026 (13)	0.52889 (12)	0.5047 (2)	0.0254 (4)
C1	0.76946 (16)	0.56100 (15)	0.6432 (3)	0.0279 (5)
C2	0.68861 (18)	0.53476 (18)	0.7221 (3)	0.0379 (6)
H2A	0.6566	0.4853	0.6607	0.057*
H2B	0.6449	0.5838	0.7192	0.057*
H2C	0.7106	0.5178	0.8389	0.057*
C3	0.84000 (16)	0.63015 (14)	0.7139 (3)	0.0268 (5)
C4	0.78975 (19)	0.71914 (16)	0.7114 (3)	0.0367 (6)
H4A	0.7579	0.7317	0.5972	0.055*
H4B	0.8359	0.7649	0.7478	0.055*
H4C	0.7435	0.7173	0.7875	0.055*
C5	0.88798 (19)	0.60805 (17)	0.8929 (3)	0.0348 (5)
H5A	0.9155	0.5496	0.8944	0.052*
H5B	0.8416	0.6097	0.9687	0.052*
H5C	0.9375	0.6508	0.9297	0.052*
C6	0.90648 (16)	0.62789 (13)	0.5885 (3)	0.0252 (4)
C7	0.98805 (16)	0.67357 (15)	0.5803 (3)	0.0301 (5)
H7A	1.0118	0.7148	0.6643	0.036*
C8	1.03446 (17)	0.65748 (16)	0.4452 (3)	0.0327 (5)
H8A	1.0904	0.6886	0.4369	0.039*
C9	1.00061 (17)	0.59686 (16)	0.3225 (3)	0.0318 (5)
H9A	1.0338	0.5873	0.2319	0.038*
C10	0.91882 (16)	0.54979 (15)	0.3296 (3)	0.0281 (5)
H10A	0.8952	0.5078	0.2470	0.034*
C11	0.87436 (15)	0.56811 (14)	0.4644 (3)	0.0246 (4)
C12	0.73635 (17)	0.46508 (15)	0.3907 (3)	0.0320 (5)
H12A	0.6940	0.4319	0.4522	0.038*
H12B	0.7800	0.4232	0.3508	0.038*
C13	0.67861 (17)	0.51091 (16)	0.2403 (3)	0.0339 (5)
H13A	0.7215	0.5454	0.1823	0.041*
H13B	0.6488	0.4661	0.1607	0.041*
C14	0.60247 (18)	0.57112 (19)	0.2847 (3)	0.0391 (6)
H14A	0.5631	0.5384	0.3527	0.047*
H14B	0.6323	0.6199	0.3540	0.047*
C15	0.5405 (2)	0.6079 (2)	0.1308 (4)	0.0553 (8)
H15A	0.5107	0.5590	0.0617	0.066*
H15B	0.5800	0.6403	0.0628	0.066*
C16	0.46391 (19)	0.66849 (18)	0.1732 (4)	0.0430 (6)
H16A	0.4067	0.6601	0.0888	0.052*
H16B	0.4486	0.6516	0.2838	0.052*
C17	0.4896 (2)	0.7628 (2)	0.1783 (4)	0.0492 (7)