x	y	z	Uiso*/Ueq
Br1	0.74999 (3)	0.08307 (2)	0.325568 (16)	0.02973 (14)
O1	0.27449 (16)	0.17106 (14)	0.96566 (12)	0.0209 (5)
O2	0.28261 (17)	0.27191 (14)	1.21239 (13)	0.0204 (5)
O3	0.58807 (17)	0.49203 (14)	1.37866 (12)	0.0217 (5)
N1	0.7545 (2)	0.28811 (17)	0.86865 (15)	0.0205 (6)
C1	0.5987 (2)	0.27332 (18)	0.88986 (17)	0.0196 (6)
C2	0.6019 (2)	0.33388 (19)	1.01757 (17)	0.0183 (6)
C3	0.4387 (2)	0.27855 (18)	1.05351 (17)	0.0179 (6)
C4	0.4391 (2)	0.33244 (18)	1.17524 (16)	0.0177 (6)
C5	0.6034 (2)	0.44399 (19)	1.26324 (17)	0.0188 (6)
C6	0.7671 (2)	0.50042 (19)	1.22894 (17)	0.0205 (7)
C7	0.7633 (2)	0.4451 (2)	1.10740 (17)	0.0209 (7)
C8	0.2463 (3)	0.0301 (2)	1.0001 (2)	0.0275 (7)
C9	0.1411 (2)	0.3364 (2)	1.16845 (19)	0.0225 (7)
C10	0.7574 (3)	0.5963 (2)	1.4782 (2)	0.0283 (8)
C11	0.7401 (2)	0.23365 (19)	0.74029 (17)	0.0190 (6)
C12	0.8644 (2)	0.16622 (19)	0.73130 (18)	0.0214 (7)
C13	0.8630 (3)	0.1162 (2)	0.60794 (19)	0.0228 (7)
C14	0.7397 (3)	0.1383 (2)	0.49439 (18)	0.0212 (7)
C15	0.6134 (3)	0.2048 (2)	0.50017 (19)	0.0232 (7)
C16	0.6156 (3)	0.2530 (2)	0.62404 (18)	0.0224 (7)
H1	0.477112	0.22121	0.820107	0.0236*
H6	0.880465	0.576586	1.289179	0.0246*
H7	0.875405	0.484421	1.084082	0.0251*
H8a	0.117756	−0.035146	0.948638	0.0329*
H8b	0.336604	−0.004589	0.981472	0.0329*
H8c	0.265545	0.035921	1.093009	0.0329*
H9a	0.039226	0.294309	1.201348	0.0269*
H9b	0.200061	0.438601	1.201714	0.0269*
H9c	0.089588	0.3194	1.073	0.0269*
H10a	0.725742	0.625109	1.551587	0.034*
H10b	0.852651	0.554334	1.508865	0.034*
H10c	0.807226	0.679308	1.440879	0.034*
H12	0.95208	0.154077	0.810937	0.0256*
H13	0.946288	0.067032	0.60173	0.0274*
H15	0.526458	0.217114	0.42029	0.0278*
H16	0.530309	0.300348	0.629778	0.0268*