x	y	z	Uiso*/Ueq
Br1	0.19477 (3)	0.33461 (3)	0.89681 (2)	0.05002 (9)
S2	0.70559 (7)	0.58659 (7)	0.62666 (3)	0.03418 (12)
S3	1.06683 (7)	0.72703 (8)	0.56091 (3)	0.03905 (13)
O6	0.5420 (2)	0.9077 (2)	0.29823 (10)	0.0520 (4)
O4	0.6263 (2)	0.94245 (19)	0.89038 (9)	0.0404 (3)
O5	0.8534 (3)	1.0955 (2)	0.84135 (14)	0.0650 (5)
N7	0.7479 (2)	0.7625 (2)	0.46382 (10)	0.0303 (3)
C8	0.3315 (3)	0.5266 (3)	0.89259 (13)	0.0373 (4)
C9	0.4939 (3)	0.5289 (3)	0.84039 (12)	0.0337 (4)
H9	0.5346	0.4379	0.8070	0.040*
C10	0.5976 (3)	0.6687 (2)	0.83777 (11)	0.0299 (4)
C11	0.5313 (3)	0.8021 (3)	0.88881 (12)	0.0345 (4)
C12	0.3686 (3)	0.7987 (3)	0.94128 (14)	0.0441 (5)
H12	0.3272	0.8889	0.9750	0.053*
C13	0.2683 (3)	0.6601 (3)	0.94310 (14)	0.0450 (5)
H13	0.1585	0.6561	0.9782	0.054*
C14	0.7717 (3)	0.6820 (2)	0.78610 (11)	0.0302 (4)
C15	0.8595 (3)	0.8222 (3)	0.78884 (14)	0.0381 (4)
H15	0.9729	0.8289	0.7567	0.046*
C16	0.7858 (3)	0.9630 (3)	0.83943 (15)	0.0428 (5)
C17	0.8495 (3)	0.5444 (3)	0.72867 (12)	0.0328 (4)
H17A	0.8481	0.4223	0.7622	0.039*
H17B	0.9826	0.5515	0.7133	0.039*
C18	0.8436 (2)	0.7021 (2)	0.54254 (12)	0.0275 (4)
C19	0.5618 (3)	0.7172 (3)	0.44561 (14)	0.0392 (5)
H19A	0.4913	0.6973	0.5014	0.047*
H19B	0.5848	0.6047	0.4223	0.047*
C20	0.4422 (3)	0.8674 (3)	0.37879 (14)	0.0418 (5)
H20A	0.3232	0.8309	0.3659	0.050*
H20B	0.4081	0.9764	0.4047	0.050*
C21	0.7118 (3)	0.9691 (4)	0.31608 (16)	0.0503 (6)
H21A	0.6753	1.0799	0.3403	0.060*
H21B	0.7785	0.9988	0.2600	0.060*
C22	0.8474 (3)	0.8295 (3)	0.38134 (13)	0.0381 (4)
H22A	0.9027	0.7273	0.3530	0.046*
H22B	0.9525	0.8835	0.3969	0.046*