x	y	z	Uiso*/Ueq
P1	0.31029 (3)	0.44471 (4)	0.32117 (3)	0.01545 (12)
C1	0.41411 (12)	0.41713 (15)	0.38823 (13)	0.0174 (4)
H1A	0.4424	0.4655	0.3789	0.021*
H1B	0.4324	0.4234	0.4468	0.021*
C2	0.43759 (12)	0.32001 (16)	0.37752 (12)	0.0181 (4)
C3	0.42000 (13)	0.23839 (16)	0.40364 (13)	0.0206 (5)
H3	0.3909	0.2438	0.4261	0.025*
C4	0.44456 (13)	0.14960 (17)	0.39714 (14)	0.0222 (5)
H4	0.4314	0.0945	0.4143	0.027*
C5	0.48845 (12)	0.14061 (16)	0.36557 (13)	0.0205 (5)
C6	0.50870 (13)	0.22217 (18)	0.34252 (14)	0.0249 (5)
H6	0.5408	0.2170	0.3235	0.030*
C7	0.48255 (13)	0.31103 (18)	0.34700 (14)	0.0241 (5)
H7	0.4953	0.3660	0.3292	0.029*
C8	0.51658 (13)	0.04628 (18)	0.35787 (14)	0.0260 (5)
O1	0.56546 (10)	0.03619 (14)	0.34485 (11)	0.0341 (4)
O2	0.48183 (10)	−0.02626 (12)	0.36867 (12)	0.0343 (4)
C9	0.50683 (18)	−0.1213 (2)	0.3647 (2)	0.0495 (8)
H9A	0.4922	−0.1329	0.3085	0.074*
H9B	0.4811	−0.1685	0.3776	0.074*
H9C	0.5641	−0.1266	0.4052	0.074*
C10	0.27533 (12)	0.45605 (15)	0.21423 (13)	0.0167 (4)
C11	0.19410 (13)	0.45949 (17)	0.15136 (13)	0.0217 (5)
H11	0.1578	0.4523	0.1648	0.026*
C12	0.16704 (14)	0.47353 (17)	0.06923 (14)	0.0252 (5)
H12	0.1120	0.4762	0.0265	0.030*
C13	0.21980 (14)	0.48367 (16)	0.04915 (14)	0.0240 (5)
H13	0.2008	0.4929	−0.0072	0.029*
C14	0.30000 (14)	0.48039 (17)	0.11111 (14)	0.0243 (5)
H14	0.3361	0.4875	0.0974	0.029*
C15	0.32787 (13)	0.46655 (16)	0.19402 (13)	0.0212 (5)
H15	0.3830	0.4643	0.2366	0.025*
C16	0.29724 (13)	0.55555 (15)	0.35705 (13)	0.0182 (4)
C17	0.22172 (14)	0.58176 (18)	0.33081 (17)	0.0311 (6)
H17	0.1780	0.5419	0.2939	0.037*
C18	0.21096 (16)	0.66619 (19)	0.35887 (18)	0.0363 (6)
H18	0.1596	0.6842	0.3409	0.044*
C19	0.27431 (15)	0.72433 (17)	0.41278 (15)	0.0280 (5)
H19	0.2665	0.7816	0.4325	0.034*
C20	0.34886 (14)	0.69949 (17)	0.43800 (14)	0.0253 (5)
H20	0.3921	0.7402	0.4744	0.030*
C21	0.36103 (13)	0.61531 (17)	0.41050 (13)	0.0221 (5)
H21	0.4124	0.5984	0.4279	0.027*
C22	0.25177 (12)	0.35735 (15)	0.32766 (13)	0.0171 (4)
C23	0.24544 (13)	0.36231 (17)	0.39383 (14)	0.0223 (5)
H23	0.2734	0.4097	0.4356	0.027*
C24	0.19816 (14)	0.29762 (18)	0.39790 (15)	0.0265 (5)
H24	0.1933	0.3011	0.4424	0.032*
C25	0.15793 (14)	0.22790 (18)	0.33766 (16)	0.0281 (5)
H25	0.1248	0.1846	0.3404	0.034*
C26	0.16576 (15)	0.22106 (18)	0.27322 (16)	0.0287 (5)
H26	0.1388	0.1725	0.2324	0.034*
C27	0.21322 (13)	0.28556 (16)	0.26844 (14)	0.0230 (5)
H27	0.2193	0.2806	0.2248	0.028*
Br1	0.456153 (14)	0.381335 (18)	0.588418 (14)	0.02564 (7)
O3	0.5000	0.49982 (19)	0.7500	0.0300 (5)
H3O	0.485 (2)	0.455 (3)	0.702 (2)	0.090 (14)*