x	y	z	Uiso*/Ueq
Br1	0.00177 (2)	0.18718 (2)	0.27906 (3)	0.03808 (6)
O1	0.09291 (15)	0.30658 (4)	0.37344 (17)	0.0372 (3)
O2	−0.52102 (14)	0.29007 (5)	−0.19615 (17)	0.0400 (3)
O3	−0.65570 (14)	0.38022 (5)	−0.07840 (19)	0.0393 (3)
H3A	−0.639 (3)	0.3515 (11)	−0.093 (3)	0.059*
O4	−0.25442 (16)	0.52226 (5)	−0.2911 (2)	0.0502 (4)
H4A	−0.163 (3)	0.5103 (10)	−0.276 (3)	0.050*
N1	−0.92239 (18)	0.49008 (7)	−0.2525 (3)	0.0524 (4)
N2	−0.6248 (3)	0.59864 (7)	−0.3963 (3)	0.0594 (5)
C1	−0.12247 (17)	0.25158 (6)	0.1689 (2)	0.0269 (3)
C2	−0.27623 (17)	0.24472 (6)	0.0277 (2)	0.0290 (3)
H2A	−0.3187	0.2089	−0.0098	0.035*
C3	−0.36583 (17)	0.29233 (6)	−0.0569 (2)	0.0277 (3)
C4	−0.30049 (16)	0.34595 (5)	−0.00356 (19)	0.0258 (2)
C5	−0.14639 (17)	0.35126 (6)	0.1413 (2)	0.0276 (3)
H5A	−0.1032	0.3870	0.1789	0.033*
C6	−0.05661 (18)	0.30449 (6)	0.2301 (2)	0.0271 (3)
C7	−0.38125 (16)	0.39804 (5)	−0.09918 (19)	0.0258 (2)
C8	−0.55087 (16)	0.41297 (6)	−0.1289 (2)	0.0269 (3)
C9	−0.61363 (16)	0.46445 (6)	−0.20684 (19)	0.0270 (3)
C10	−0.51175 (16)	0.50206 (6)	−0.2583 (2)	0.0283 (3)
C11	−0.34649 (17)	0.48643 (6)	−0.2341 (2)	0.0312 (3)
C12	−0.28382 (17)	0.43499 (6)	−0.1544 (2)	0.0300 (3)
H12A	−0.1728	0.4251	−0.1377	0.036*
C13	0.1665 (2)	0.36036 (8)	0.4267 (3)	0.0523 (5)
H13A	0.2725	0.3563	0.5253	0.078*
H13B	0.0908	0.3832	0.4618	0.078*
H13C	0.1860	0.3780	0.3291	0.078*
C14	−0.5909 (2)	0.23599 (7)	−0.2582 (3)	0.0411 (4)
H14A	−0.6967	0.2403	−0.3568	0.062*
H14B	−0.6098	0.2161	−0.1638	0.062*
H14C	−0.5131	0.2151	−0.2957	0.062*
C15	−0.78630 (18)	0.47882 (7)	−0.2331 (2)	0.0346 (3)
C16	−0.5754 (2)	0.55568 (7)	−0.3358 (2)	0.0368 (3)