x	y	z	Uiso*/Ueq
Br1	0.79546 (7)	0.36351 (7)	0.64076 (4)	0.05088 (18)
C1	0.2803 (6)	0.3219 (6)	0.0688 (3)	0.0386 (9)
C2	0.5585 (6)	0.2362 (6)	−0.0218 (3)	0.0383 (9)
C3	0.7615 (6)	0.1524 (7)	−0.0409 (4)	0.0500 (11)
H3A	0.7832	0.1481	−0.1178	0.075*
H3B	0.7886	0.0253	−0.0038	0.075*
H3C	0.8457	0.2290	−0.0134	0.075*
C4	0.5834 (6)	0.2340 (6)	0.2504 (3)	0.0387 (9)
H4	0.5514	0.3663	0.2371	0.046*
C5	0.6609 (5)	0.1469 (6)	0.3552 (3)	0.0350 (9)
C6	0.6983 (5)	−0.0480 (6)	0.3857 (3)	0.0377 (9)
C7	0.7585 (6)	−0.1188 (6)	0.4911 (3)	0.0415 (10)
H7	0.7807	−0.2500	0.5114	0.050*
C8	0.7855 (6)	0.0030 (6)	0.5659 (3)	0.0422 (10)
H8	0.8259	−0.0456	0.6365	0.051*
C9	0.7521 (5)	0.2008 (6)	0.5355 (3)	0.0356 (9)
C10	0.6892 (6)	0.2752 (6)	0.4322 (3)	0.0384 (9)
H10	0.6654	0.4065	0.4126	0.046*
N1	0.4330 (5)	0.3251 (5)	−0.0963 (3)	0.0419 (8)
N2	0.2652 (5)	0.3746 (5)	−0.0387 (3)	0.0372 (8)
N3	0.4714 (5)	0.2332 (4)	0.0799 (3)	0.0355 (8)
N4	0.5586 (5)	0.1292 (5)	0.1755 (3)	0.0398 (8)
O1	0.6727 (5)	−0.1790 (4)	0.3183 (3)	0.0500 (8)
S1	0.10932 (16)	0.35060 (17)	0.16652 (9)	0.0457 (3)
H2	0.161 (5)	0.440 (6)	−0.069 (4)	0.069*
H1	0.640 (8)	−0.123 (7)	0.258 (2)	0.069*