x	y	z	Uiso*/Ueq
S1	0.60834 (14)	0.26465 (6)	0.14885 (8)	0.0347 (3)
O1	0.5029 (4)	−0.01520 (17)	0.3384 (2)	0.0387 (7)
O2	0.2537 (4)	0.33079 (19)	−0.0999 (3)	0.0512 (8)
O3	0.1270 (4)	0.25356 (17)	0.0178 (2)	0.0370 (6)
O4	0.7870 (4)	0.20609 (17)	0.3966 (2)	0.0379 (7)
O5	0.7226 (4)	0.08587 (19)	0.4695 (2)	0.0439 (7)
N1	0.4277 (4)	0.14703 (17)	0.0711 (2)	0.0257 (6)
C1	0.5397 (5)	0.1656 (2)	0.1790 (3)	0.0274 (7)
C2	0.5731 (5)	0.1139 (2)	0.2722 (3)	0.0289 (8)
C3	0.4829 (5)	0.0354 (2)	0.2544 (3)	0.0303 (8)
C4	0.3696 (5)	0.0139 (2)	0.1369 (3)	0.0277 (8)
C5	0.2892 (5)	−0.0668 (2)	0.1153 (3)	0.0318 (8)
H5	0.3105	−0.1057	0.1774	0.038*
C6	0.1828 (5)	−0.0887 (2)	0.0074 (3)	0.0317 (8)
H6	0.1297	−0.1428	−0.0048	0.038*
C7	0.1484 (5)	−0.0329 (2)	−0.0882 (3)	0.0281 (8)
C8	0.0343 (5)	−0.0566 (2)	−0.2002 (3)	0.0327 (8)
H8	−0.0180	−0.1108	−0.2118	0.039*
C9	−0.0019 (5)	−0.0027 (3)	−0.2920 (3)	0.0364 (9)
H9	−0.0819	−0.0190	−0.3661	0.044*
C10	0.0790 (6)	0.0762 (2)	−0.2765 (3)	0.0359 (9)
H10	0.0552	0.1130	−0.3410	0.043*
C11	0.1927 (5)	0.1015 (2)	−0.1696 (3)	0.0324 (8)
H11	0.2475	0.1553	−0.1611	0.039*
C12	0.2288 (5)	0.0480 (2)	−0.0719 (3)	0.0275 (8)
C13	0.3401 (5)	0.0702 (2)	0.0439 (3)	0.0254 (7)
C14	0.4427 (5)	0.2249 (2)	0.0104 (3)	0.0298 (8)
H14	0.5090	0.2174	−0.0521	0.036*
C15	0.2618 (5)	0.2759 (2)	−0.0304 (3)	0.0327 (8)
C16	0.7025 (5)	0.1379 (2)	0.3852 (3)	0.0332 (9)
H5A	0.649 (6)	0.039 (2)	0.432 (4)	0.052*
H3	0.008 (4)	0.277 (2)	−0.029 (3)	0.044*