x	y	z	Uiso*/Ueq
S1	−0.03347 (11)	0.58024 (2)	0.44385 (4)	0.01871 (16)
C2	0.1290 (5)	0.63202 (10)	0.35289 (16)	0.0179 (4)
N3	0.0429 (4)	0.62471 (9)	0.25396 (14)	0.0190 (4)
C3A	−0.1604 (5)	0.57600 (10)	0.24410 (17)	0.0197 (4)
C4	−0.3012 (5)	0.55593 (11)	0.14936 (17)	0.0227 (5)
H4	−0.257833	0.575871	0.084112	0.027*
C5	−0.5025 (5)	0.50703 (11)	0.15244 (18)	0.0238 (5)
H5	−0.600561	0.493791	0.088821	0.029*
C6	−0.5657 (5)	0.47627 (11)	0.24818 (18)	0.0230 (5)
H6	−0.704244	0.442317	0.248094	0.028*
C7	−0.4295 (5)	0.49470 (10)	0.34205 (18)	0.0208 (4)
H7	−0.471183	0.473769	0.406635	0.025*
C7A	−0.2284 (5)	0.54501 (10)	0.33950 (16)	0.0189 (4)
C8	0.3479 (4)	0.67984 (10)	0.38551 (16)	0.0174 (4)
C9	0.4134 (5)	0.68882 (10)	0.49914 (16)	0.0186 (4)
C10	0.7662 (5)	0.76940 (10)	0.45552 (16)	0.0174 (4)
C11	0.9720 (5)	0.81249 (10)	0.49547 (16)	0.0200 (4)
H11	1.009311	0.816281	0.569554	0.024*
C12	1.1223 (5)	0.84998 (10)	0.42467 (17)	0.0208 (4)
H12	1.262170	0.880282	0.450509	0.025*
C13	1.0693 (5)	0.84351 (10)	0.31510 (17)	0.0202 (4)
H13	1.174863	0.869054	0.267249	0.024*
C14	0.8647 (5)	0.80021 (10)	0.27695 (16)	0.0191 (4)
H14	0.830301	0.796009	0.202773	0.023*
C15	0.7059 (4)	0.76208 (10)	0.34688 (16)	0.0173 (4)
C16	0.4906 (4)	0.71565 (10)	0.31393 (16)	0.0173 (4)
H16	0.447058	0.709837	0.240584	0.021*
O1	0.6178 (3)	0.73370 (7)	0.52821 (11)	0.0198 (3)
O2	0.2995 (4)	0.65973 (8)	0.56960 (12)	0.0247 (4)