x	y	z	Uiso*/Ueq
Br	0.33444 (5)	0.11365 (3)	0.04397 (2)	0.05700 (14)
S1	1.10460 (10)	0.70610 (6)	0.10224 (6)	0.0458 (2)
S2	0.72189 (10)	0.76733 (6)	0.24288 (6)	0.0423 (2)
N1	0.5742 (3)	0.51783 (19)	0.15272 (15)	0.0336 (5)
N2	0.7654 (3)	0.54749 (19)	0.10904 (16)	0.0356 (5)
H2	0.8197	0.4905	0.0580	0.043*
O1	−0.0891 (3)	0.51964 (18)	0.35686 (15)	0.0501 (5)
C1	0.1988 (4)	0.2431 (2)	0.13964 (19)	0.0366 (6)
C2	0.0116 (5)	0.2108 (3)	0.1861 (2)	0.0487 (8)
H2A	−0.0459	0.1278	0.1682	0.058*
C3	−0.0907 (4)	0.2999 (3)	0.2586 (2)	0.0465 (7)
H3	−0.2169	0.2778	0.2900	0.056*
C4	−0.0045 (4)	0.4226 (3)	0.2843 (2)	0.0370 (6)
C5	0.1811 (4)	0.4548 (2)	0.23569 (19)	0.0341 (6)
H5	0.2356	0.5378	0.2518	0.041*
C6	0.2875 (4)	0.3660 (2)	0.16346 (19)	0.0314 (6)
C7	0.4884 (4)	0.4042 (2)	0.11732 (19)	0.0356 (6)
H7	0.5525	0.3453	0.0623	0.043*
C8	0.8663 (4)	0.6654 (2)	0.14642 (18)	0.0319 (6)
C9	0.8899 (4)	0.9158 (2)	0.2670 (2)	0.0414 (7)
H9A	1.0306	0.9241	0.3078	0.050*
H9B	0.9132	0.9233	0.1918	0.050*
C10	0.7736 (4)	1.0146 (2)	0.3410 (2)	0.0380 (6)
C11	0.5706 (5)	1.0236 (3)	0.3006 (2)	0.0489 (8)
H11	0.5048	0.9677	0.2267	0.059*
C12	0.4647 (5)	1.1145 (3)	0.3690 (3)	0.0587 (8)
H12	0.3299	1.1210	0.3404	0.070*
C13	0.5599 (6)	1.1955 (3)	0.4797 (3)	0.0624 (9)
H13	0.4869	1.2552	0.5269	0.075*
C14	0.7606 (6)	1.1886 (3)	0.5205 (2)	0.0636 (9)
H14	0.8250	1.2441	0.5948	0.076*
C15	0.8682 (5)	1.0989 (3)	0.4509 (2)	0.0487 (7)
H15	1.0059	1.0953	0.4786	0.058*
C16	−0.2653 (5)	0.4938 (3)	0.4202 (2)	0.0604 (9)
H16A	−0.3916	0.4475	0.3655	0.091*
H16B	−0.2973	0.5700	0.4744	0.091*
H16C	−0.2260	0.4464	0.4636	0.091*