x	y	z	Uiso*/Ueq
S1	0.25056 (5)	0.11285 (4)	0.35763 (4)	0.03667 (14)
S2	1.01768 (5)	0.41512 (5)	0.19381 (4)	0.04482 (15)
O1	0.52983 (18)	0.53943 (14)	0.76634 (12)	0.0532 (4)
H1	0.4963	0.6058	0.7574	0.080*
O2	0.34176 (16)	0.67695 (12)	0.67191 (12)	0.0472 (3)
O3	0.18259 (15)	0.59188 (11)	0.49653 (12)	0.0432 (3)
H3	0.1683	0.6667	0.4998	0.065*
O4	0.30140 (18)	0.15439 (12)	0.24126 (12)	0.0513 (4)
O5	0.07938 (16)	0.09571 (14)	0.35499 (15)	0.0595 (4)
O6	0.31219 (19)	0.00026 (13)	0.38592 (14)	0.0577 (4)
O7	0.61923 (18)	0.12933 (14)	−0.10879 (16)	0.0643 (4)
O8	0.81979 (18)	0.03591 (13)	−0.04892 (13)	0.0525 (4)
H8	0.7748	−0.0241	−0.1027	0.079*
O9	0.11825 (18)	0.81397 (13)	0.48548 (15)	0.0566 (4)
H1W	0.1851	0.8757	0.4688	0.085*
H2W	0.0648	0.8431	0.5397	0.085*
O10	0.35251 (19)	0.94663 (14)	0.77184 (18)	0.0746 (5)
H3W	0.3066	0.8901	0.7160	0.112*
H4W	0.4477	0.9618	0.7742	0.112*
N1	0.77420 (17)	0.36608 (13)	0.03035 (13)	0.0356 (3)
N2	0.7588 (2)	0.83610 (15)	0.15551 (16)	0.0488 (4)
H2D	0.7349	0.9120	0.1660	0.059*
C1	0.33096 (19)	0.24035 (15)	0.48162 (15)	0.0324 (4)
C2	0.4457 (2)	0.22332 (18)	0.57360 (17)	0.0398 (4)
H2	0.4793	0.1444	0.5709	0.048*
C3	0.5089 (2)	0.32448 (19)	0.66860 (17)	0.0428 (4)
H3A	0.5849	0.3130	0.7300	0.051*
C4	0.4600 (2)	0.44306 (17)	0.67308 (15)	0.0368 (4)
C5	0.34238 (19)	0.46005 (15)	0.58262 (14)	0.0310 (3)
C6	0.27899 (19)	0.35698 (15)	0.48679 (15)	0.0312 (3)
H6	0.2013	0.3672	0.4261	0.037*
C7	0.28871 (19)	0.58539 (16)	0.58768 (15)	0.0336 (4)
C8	0.7104 (2)	0.62363 (17)	0.04650 (16)	0.0396 (4)
H8A	0.6538	0.5612	−0.0173	0.048*
C9	0.6759 (2)	0.74537 (19)	0.06439 (18)	0.0473 (5)
H9	0.5946	0.7655	0.0132	0.057*
C10	0.8772 (3)	0.81171 (18)	0.23019 (19)	0.0517 (5)
H10	0.9334	0.8769	0.2917	0.062*
C11	0.9166 (2)	0.69063 (18)	0.21681 (18)	0.0456 (4)
H11	0.9993	0.6738	0.2688	0.055*
C12	0.8314 (2)	0.59344 (16)	0.12459 (15)	0.0342 (4)
C13	0.8626 (2)	0.46044 (16)	0.10910 (15)	0.0336 (4)
C14	0.8288 (2)	0.25269 (16)	0.03559 (15)	0.0354 (4)
C15	0.9591 (2)	0.26100 (18)	0.11859 (17)	0.0420 (4)
H15	1.0088	0.1921	0.1320	0.050*
C16	0.7430 (2)	0.13402 (17)	−0.04781 (17)	0.0402 (4)