x	y	z	Uiso*/Ueq
O1	0.09240 (11)	0.1142 (2)	0.60603 (10)	0.0202 (3)
O2	0.91263 (11)	0.64850 (18)	0.83888 (10)	0.0180 (3)
O3	1.04079 (14)	0.3897 (2)	0.97682 (12)	0.0259 (3)
C1	0.41584 (16)	0.0015 (3)	0.73392 (16)	0.0173 (4)
H1A	0.4554	−0.0512	0.6651	0.021*
H1B	0.4492	−0.0705	0.8022	0.021*
C2	0.27216 (16)	−0.0310 (3)	0.72069 (16)	0.0196 (4)
H2A	0.2544	−0.1577	0.6857	0.024*
H2B	0.2349	−0.0272	0.7975	0.024*
C3	0.21656 (16)	0.1217 (3)	0.64550 (14)	0.0167 (4)
C4	0.27270 (16)	0.2813 (3)	0.60818 (14)	0.0159 (4)
C5	0.41066 (16)	0.3158 (3)	0.63354 (15)	0.0148 (4)
H5	0.4551	0.2495	0.5707	0.018*
C6	0.45291 (16)	0.5236 (3)	0.62997 (15)	0.0174 (4)
H6A	0.4238	0.5930	0.6983	0.021*
H6B	0.4167	0.5865	0.5594	0.021*
C7	0.59643 (16)	0.5269 (3)	0.62984 (15)	0.0175 (4)
H7A	0.6254	0.6613	0.6279	0.021*
H7B	0.6238	0.4632	0.5589	0.021*
C8	0.65845 (16)	0.4275 (3)	0.73580 (14)	0.0148 (4)
C9	0.60201 (16)	0.2259 (2)	0.75520 (15)	0.0141 (4)
H9	0.6291	0.1485	0.6881	0.017*
C10	0.45483 (16)	0.2142 (3)	0.74799 (15)	0.0145 (4)
C11	0.66860 (16)	0.1311 (3)	0.86261 (14)	0.0175 (4)
H11A	0.6107	0.0350	0.8935	0.021*
H11B	0.7433	0.0617	0.8367	0.021*
C12	0.71155 (17)	0.2649 (3)	0.96239 (15)	0.0188 (4)
H12A	0.6400	0.2854	1.0127	0.023*
H12B	0.7793	0.2009	1.0094	0.023*
C13	0.75979 (16)	0.4604 (3)	0.92313 (15)	0.0161 (4)
H13	0.7822	0.5436	0.9912	0.019*
C14	0.65661 (17)	0.5522 (3)	0.84587 (15)	0.0167 (4)
H14A	0.6765	0.6872	0.8288	0.020*
H14B	0.5740	0.5457	0.8817	0.020*
C15	0.80304 (16)	0.4041 (3)	0.72158 (14)	0.0166 (4)
H15A	0.8227	0.2716	0.6986	0.020*
H15B	0.8319	0.4923	0.6614	0.020*
C16	0.86878 (16)	0.4516 (3)	0.84003 (15)	0.0159 (4)
C17	0.97698 (17)	0.3184 (3)	0.87504 (15)	0.0198 (4)
H17A	0.9441	0.1887	0.8897	0.024*
H17B	1.0362	0.3099	0.8117	0.024*
C18	0.17903 (17)	0.3819 (3)	0.53822 (16)	0.0201 (4)
H18	0.1897	0.4990	0.4983	0.024*
C19	0.07310 (17)	0.2766 (3)	0.54064 (16)	0.0213 (4)
H19	−0.0046	0.3101	0.5023	0.026*
C20	0.39111 (16)	0.2962 (3)	0.85393 (15)	0.0181 (4)
H20A	0.4278	0.2371	0.9244	0.022*
H20B	0.3007	0.2690	0.8475	0.022*
H20C	0.4043	0.4347	0.8573	0.022*
C21	1.01924 (17)	0.6855 (3)	0.77196 (17)	0.0233 (4)
H21A	1.0082	0.6217	0.6968	0.028*
H21B	1.0953	0.6368	0.8129	0.028*
H21C	1.0275	0.8235	0.7601	0.028*
H3O	1.052 (2)	0.302 (4)	1.021 (2)	0.043 (8)*