x	y	z	Uiso*/Ueq
S1	0.34071 (5)	0.65560 (6)	0.19254 (4)	0.05870 (14)
O1	0.37947 (12)	0.66249 (15)	0.33871 (9)	0.0550 (3)
C14	0.51158 (17)	0.6533 (2)	0.13267 (13)	0.0496 (4)
O2	0.2721 (2)	0.52973 (18)	0.17277 (14)	0.0832 (5)
C2	0.4586 (2)	0.77398 (17)	0.53214 (15)	0.0481 (4)
H2	0.4844	0.8619	0.5665	0.058*
O3	0.26443 (18)	0.77282 (18)	0.15090 (14)	0.0788 (5)
N1	0.3547 (2)	0.71908 (16)	0.72847 (16)	0.0659 (5)
C3	0.5921 (2)	0.68346 (16)	0.56744 (16)	0.0533 (5)
H3	0.5703	0.5965	0.5292	0.064*
C7	0.7277 (2)	0.73680 (18)	0.51511 (18)	0.0568 (5)
C4	0.6116 (2)	0.6639 (3)	0.70958 (16)	0.0684 (5)
H4A	0.6855	0.5963	0.7303	0.082*
H4B	0.6463	0.7460	0.7492	0.082*
C1	0.4245 (2)	0.79152 (17)	0.39340 (16)	0.0507 (4)
H1A	0.3462	0.8558	0.3764	0.061*
H1B	0.5105	0.8238	0.3571	0.061*
C15	0.5673 (2)	0.7700 (2)	0.08678 (18)	0.0595 (5)
H15	0.5152	0.8491	0.0888	0.071*
C6	0.3242 (2)	0.7278 (2)	0.59338 (18)	0.0615 (5)
H6A	0.2441	0.7895	0.5729	0.074*
H6B	0.2937	0.6414	0.5604	0.074*
C5	0.4712 (3)	0.62325 (19)	0.75996 (19)	0.0737 (7)
H5A	0.4409	0.5373	0.7260	0.088*
H5B	0.4878	0.6148	0.8500	0.088*
C8	0.7843 (2)	0.6761 (3)	0.41456 (18)	0.0696 (6)
H8	0.7424	0.5975	0.3828	0.083*
C19	0.5895 (3)	0.5365 (2)	0.12864 (18)	0.0630 (5)
H19	0.5529	0.4583	0.1595	0.076*
C9	0.9024 (3)	0.7304 (3)	0.3602 (2)	0.0862 (7)
H9	0.9399	0.6887	0.2931	0.103*
C17	0.7790 (2)	0.6507 (4)	0.03166 (18)	0.0795 (6)
C18	0.7223 (3)	0.5368 (3)	0.0783 (2)	0.0792 (7)
H18	0.7748	0.4580	0.0759	0.095*
C20	0.9241 (3)	0.6477 (6)	−0.0255 (3)	0.1361 (12)
H20A	0.9107	0.6047	−0.1054	0.204*
H20B	0.9953	0.5998	0.0285	0.204*
H20C	0.9579	0.7369	−0.0357	0.204*
F1	1.07463 (15)	0.9031 (2)	0.35259 (18)	0.1293 (7)
C13	0.2204 (3)	0.6809 (4)	0.7843 (2)	0.1021 (10)
H13A	0.1910	0.5934	0.7567	0.153*
H13B	0.1435	0.7428	0.7590	0.153*
H13C	0.2392	0.6815	0.8737	0.153*
C12	0.7948 (2)	0.8534 (2)	0.5606 (2)	0.0732 (6)
H12	0.7603	0.8954	0.6288	0.088*
C10	0.9617 (2)	0.8460 (3)	0.4074 (3)	0.0858 (7)
C16	0.7006 (3)	0.7662 (3)	0.0384 (2)	0.0751 (7)
H16	0.7389	0.8444	0.0092	0.090*
C11	0.9115 (3)	0.9079 (3)	0.5067 (3)	0.0885 (7)
H11	0.9551	0.9859	0.5379	0.106*