x	y	z	Uiso*/Ueq
Br1	0.58037 (3)	0.865565 (17)	0.942297 (10)	0.02402 (8)
O1	0.2217 (2)	0.40943 (12)	0.84900 (7)	0.0161 (3)
O2	0.6507 (2)	0.85865 (13)	0.78478 (7)	0.0187 (3)
O3	0.5513 (2)	0.71024 (11)	0.68917 (7)	0.0195 (3)
N1	0.0154 (3)	0.54199 (15)	0.83295 (9)	0.0179 (4)
C1	0.0051 (3)	0.1430 (2)	0.85221 (12)	0.0259 (5)
H1A	−0.0140	0.1381	0.8027	0.031*
C2	−0.0108 (4)	0.0473 (2)	0.89404 (16)	0.0362 (7)
H2A	−0.0416	−0.0224	0.8732	0.043*
C3	0.0182 (4)	0.0542 (2)	0.96587 (14)	0.0365 (7)
H3A	0.0072	−0.0110	0.9944	0.044*
C4	0.0633 (4)	0.1557 (2)	0.99672 (12)	0.0341 (6)
H4A	0.0831	0.1600	1.0462	0.041*
C5	0.0792 (4)	0.25110 (19)	0.95494 (11)	0.0257 (5)
H5A	0.1110	0.3205	0.9760	0.031*
C6	0.0490 (3)	0.24580 (18)	0.88251 (10)	0.0191 (5)
C7	0.0610 (3)	0.34994 (17)	0.83700 (10)	0.0170 (5)
H7A	0.0563	0.3265	0.7862	0.020*
C8	0.1793 (3)	0.52295 (17)	0.86771 (10)	0.0165 (5)
H8A	0.1630	0.5277	0.9201	0.020*
C9	−0.0781 (3)	0.43775 (18)	0.84969 (10)	0.0191 (5)
H9A	−0.1098	0.4379	0.9009	0.023*
C10	0.3140 (3)	0.60567 (17)	0.84574 (10)	0.0152 (5)
C11	0.3775 (3)	0.68157 (17)	0.89478 (11)	0.0167 (5)
H11A	0.3434	0.6764	0.9429	0.020*
C12	0.4899 (3)	0.76443 (18)	0.87389 (10)	0.0162 (5)
C13	0.5436 (3)	0.77558 (17)	0.80434 (10)	0.0153 (4)
C14	0.4837 (3)	0.69524 (17)	0.75520 (10)	0.0149 (4)
C15	0.3686 (3)	0.61278 (17)	0.77486 (10)	0.0153 (4)
H15A	0.3264	0.5611	0.7407	0.018*
C16	−0.2384 (3)	0.4204 (2)	0.80546 (13)	0.0302 (6)
H16A	−0.3266	0.4741	0.8202	0.045*
H16B	−0.2808	0.3437	0.8122	0.045*
H16C	−0.2112	0.4324	0.7554	0.045*
C17	−0.0712 (3)	0.64373 (18)	0.85614 (11)	0.0258 (5)
H17A	0.0013	0.7090	0.8461	0.039*
H17B	−0.0931	0.6394	0.9071	0.039*
H17C	−0.1802	0.6513	0.8309	0.039*
C18	0.5220 (3)	0.62188 (19)	0.63849 (10)	0.0224 (5)
H18A	0.5904	0.6361	0.5960	0.034*
H18B	0.4003	0.6199	0.6259	0.034*
H18C	0.5554	0.5496	0.6591	0.034*
H2	0.659 (3)	0.856 (2)	0.74000 (15)	0.022 (6)*