x	y	z	Uiso*/Ueq
Br1	0.54220 (2)	0.31515 (2)	0.43375 (2)	0.02813 (9)
O1	0.27633 (7)	0.25150 (17)	0.58702 (14)	0.0298 (3)
C2	0.32957 (9)	0.1726 (2)	0.65118 (19)	0.0232 (4)
H2	0.3517	0.2334	0.7256	0.028*
N3	0.30119 (8)	0.03941 (18)	0.70533 (15)	0.0240 (3)
C4	0.24396 (10)	0.0998 (2)	0.7578 (2)	0.0286 (4)
H4A	0.2548	0.1518	0.8441	0.034*
H4B	0.2124	0.0210	0.7696	0.034*
C5	0.21970 (10)	0.2075 (2)	0.6467 (2)	0.0275 (4)
H5	0.1901	0.1541	0.5785	0.033*
C6	0.37483 (9)	0.1367 (2)	0.54907 (18)	0.0226 (4)
C7	0.42805 (9)	0.2251 (2)	0.53991 (18)	0.0235 (4)
H7	0.4364	0.3066	0.5991	0.028*
C8	0.46904 (9)	0.1942 (2)	0.44404 (19)	0.0229 (4)
C9	0.45780 (9)	0.0753 (2)	0.35676 (18)	0.0238 (4)
H9	0.4865	0.0541	0.2925	0.029*
C10	0.40439 (10)	−0.0118 (2)	0.36452 (18)	0.0255 (4)
H10	0.3961	−0.0925	0.3043	0.031*
C11	0.36252 (9)	0.0175 (2)	0.45995 (18)	0.0237 (4)
O11	0.31123 (7)	−0.07205 (17)	0.46493 (15)	0.0287 (3)
H11	0.2980 (17)	−0.053 (4)	0.536 (4)	0.050 (9)*
C12	0.34457 (10)	−0.0365 (2)	0.8069 (2)	0.0295 (4)
H12A	0.3823	−0.0707	0.7665	0.044*
H12B	0.3228	−0.1218	0.8418	0.044*
H12C	0.3577	0.0323	0.8803	0.044*
C13	0.18595 (10)	0.3429 (2)	0.6965 (2)	0.0293 (4)
H13A	0.1502	0.3093	0.7453	0.035*
H13B	0.2162	0.3982	0.7606	0.035*
C14	0.16029 (10)	0.4466 (2)	0.5851 (2)	0.0288 (4)
C15	0.19383 (11)	0.5761 (2)	0.5574 (2)	0.0301 (4)
C16	0.16792 (12)	0.6723 (3)	0.4563 (2)	0.0361 (5)
H16	0.1904	0.7603	0.4389	0.043*
C17	0.11055 (12)	0.6426 (3)	0.3812 (3)	0.0430 (6)
C18	0.07858 (11)	0.5135 (4)	0.4079 (3)	0.0452 (6)
H18	0.0393	0.4915	0.3564	0.054*
C19	0.10236 (10)	0.4145 (3)	0.5084 (2)	0.0365 (5)
C20	0.25709 (13)	0.6141 (3)	0.6335 (2)	0.0393 (5)
H20A	0.2512	0.6344	0.7273	0.059*
H20B	0.2748	0.7021	0.5938	0.059*
H20C	0.2865	0.5304	0.6291	0.059*
C21	0.08362 (15)	0.7492 (5)	0.2732 (3)	0.0650 (10)
H21A	0.0776	0.8468	0.3131	0.097*
H21B	0.0425	0.7119	0.2318	0.097*
H21C	0.1133	0.7581	0.2050	0.097*
C22	0.06445 (12)	0.2765 (4)	0.5315 (3)	0.0523 (7)
H22A	0.0859	0.1897	0.4985	0.079*
H22B	0.0217	0.2853	0.4835	0.079*
H22C	0.0611	0.2651	0.6276	0.079*