x	y	z	Uiso*/Ueq	Occ. (<1)
S1	0.42068 (2)	0.59475 (3)	0.35546 (2)	0.01745 (10)
F1	0.79908 (6)	0.50693 (8)	0.56642 (6)	0.0289 (2)
F2	0.74838 (6)	0.31639 (8)	0.59449 (6)	0.0272 (2)
F3	0.85429 (6)	0.32318 (9)	0.53355 (6)	0.0293 (2)
O1	0.65426 (7)	0.24640 (9)	0.38459 (7)	0.0190 (2)
H1	0.6926 (15)	0.2229 (18)	0.3589 (15)	0.056 (6)*
O2	0.79221 (7)	0.28215 (9)	0.31283 (7)	0.0234 (2)
O3	0.85300 (8)	0.49263 (10)	0.32835 (9)	0.0356 (3)
O4	0.68310 (8)	0.73637 (10)	−0.05667 (8)	0.0264 (2)
H4	0.7053 (15)	0.6801 (19)	−0.0829 (14)	0.048 (6)*
N1	0.58962 (8)	0.44198 (11)	0.41833 (8)	0.0161 (2)
N2	0.52429 (9)	0.53998 (11)	0.25624 (8)	0.0171 (2)
C1	0.51772 (9)	0.52182 (12)	0.34218 (9)	0.0154 (3)
C2	0.67753 (10)	0.38150 (12)	0.41637 (10)	0.0156 (3)
C3	0.77017 (10)	0.38279 (13)	0.52882 (10)	0.0199 (3)
C4	0.70305 (9)	0.46428 (12)	0.34352 (9)	0.0153 (3)
H4A	0.7255	0.5564	0.3730	0.018*
C5	0.78765 (10)	0.40048 (13)	0.32782 (10)	0.0183 (3)
C6	0.9245 (3)	0.4501 (3)	0.2899 (4)	0.0349 (8)	0.757 (10)
H6A	0.8925	0.3759	0.2391	0.042*	0.757 (10)
H6B	0.9914	0.4179	0.3490	0.042*	0.757 (10)
C7	0.9440 (2)	0.5681 (4)	0.2384 (2)	0.0371 (9)	0.757 (10)
H7A	0.9920	0.5418	0.2134	0.056*	0.757 (10)
H7B	0.9751	0.6413	0.2890	0.056*	0.757 (10)
H7C	0.8777	0.5981	0.1791	0.056*	0.757 (10)
C6'	0.9536 (7)	0.4377 (10)	0.3420 (11)	0.034 (2)	0.243 (10)
H6'A	0.9568	0.3387	0.3462	0.041*	0.243 (10)
H6'B	1.0158	0.4770	0.4028	0.041*	0.243 (10)
C7'	0.9382 (8)	0.4894 (18)	0.2394 (9)	0.056 (3)	0.243 (10)
H7'A	0.9987	0.4651	0.2320	0.083*	0.243 (10)
H7'B	0.9309	0.5872	0.2373	0.083*	0.243 (10)
H7'C	0.8748	0.4497	0.1820	0.083*	0.243 (10)
C8	0.60150 (10)	0.47359 (12)	0.23647 (9)	0.0157 (3)
H8A	0.5765	0.3807	0.2107	0.019*
C9	0.61729 (10)	0.54638 (12)	0.15579 (9)	0.0158 (3)
C10	0.63212 (10)	0.47113 (13)	0.08457 (9)	0.0171 (3)
H10A	0.6260	0.3763	0.0842	0.021*
C11	0.65560 (10)	0.53228 (13)	0.01436 (10)	0.0179 (3)
H11A	0.6675	0.4794	−0.0323	0.021*
C12	0.66173 (10)	0.67134 (13)	0.01224 (10)	0.0179 (3)
C13	0.64511 (11)	0.74801 (13)	0.08177 (10)	0.0215 (3)
H13A	0.6479	0.8430	0.0799	0.026*
C14	0.62449 (11)	0.68552 (13)	0.15354 (10)	0.0194 (3)
H14A	0.6151	0.7382	0.2020	0.023*
O5	0.74901 (7)	0.56068 (11)	0.84823 (8)	0.0276 (2)
H5	0.7076	0.5158	0.7956	0.041*
C15	0.84625 (12)	0.57515 (17)	0.84999 (13)	0.0359 (4)
H15A	0.8351	0.6201	0.7854	0.043*
H15B	0.8774	0.4859	0.8539	0.043*
C16	0.91849 (13)	0.65741 (19)	0.94378 (15)	0.0484 (5)
H16A	0.9857	0.6682	0.9460	0.073*
H16B	0.9295	0.6120	1.0074	0.073*
H16C	0.8873	0.7457	0.9391	0.073*
H1A	0.5812 (12)	0.4270 (16)	0.4708 (13)	0.037 (5)*
H2A	0.4826 (11)	0.5934 (14)	0.2148 (11)	0.018 (4)*