x	y	z	Uiso*/Ueq
S1	0.37478 (4)	0.35736 (7)	0.23368 (6)	0.0377 (2)
O1	0.41198 (11)	0.3575 (2)	0.18465 (19)	0.0511 (6)
O2	0.33464 (11)	0.4586 (2)	0.21844 (19)	0.0470 (6)
O3	0.42366 (12)	0.1146 (2)	0.65556 (19)	0.0555 (7)
N1	0.42423 (11)	0.3433 (2)	0.3603 (2)	0.0348 (6)
N2	0.31406 (11)	0.2240 (2)	0.43305 (19)	0.0333 (6)
N3	0.35687 (12)	0.2864 (2)	0.51876 (19)	0.0337 (6)
C1	0.26868 (14)	0.0818 (3)	0.2346 (2)	0.0356 (7)
H1	0.2551	0.0498	0.2788	0.043*
C2	0.24943 (16)	0.0283 (3)	0.1398 (3)	0.0445 (8)
H2	0.2219	−0.0394	0.1190	0.053*
C3	0.26953 (17)	0.0715 (3)	0.0750 (3)	0.0496 (9)
H3	0.2563	0.0329	0.0106	0.059*
C4	0.30886 (17)	0.1711 (3)	0.1036 (3)	0.0447 (8)
H4	0.3230	0.2010	0.0595	0.054*
C5	0.32727 (14)	0.2264 (3)	0.1974 (2)	0.0347 (7)
C6	0.30809 (13)	0.1828 (3)	0.2652 (2)	0.0311 (6)
C7	0.33508 (13)	0.2388 (3)	0.3667 (2)	0.0304 (6)
C8	0.39001 (14)	0.3110 (3)	0.4110 (2)	0.0320 (6)
C9	0.48457 (15)	0.2765 (3)	0.3945 (3)	0.0445 (8)
H9A	0.5120	0.2825	0.4701	0.067*
H9B	0.5067	0.3109	0.3614	0.067*
H9C	0.4748	0.1919	0.3747	0.067*
C10	0.40399 (14)	0.3389 (3)	0.5091 (2)	0.0354 (7)
C11	0.45835 (17)	0.4063 (3)	0.5944 (3)	0.0501 (9)
H11A	0.4820	0.4479	0.5668	0.075*
H11B	0.4869	0.3501	0.6487	0.075*
H11C	0.4420	0.4651	0.6236	0.075*
C12	0.35231 (15)	0.2791 (3)	0.6109 (2)	0.0365 (7)
H12A	0.3071	0.2675	0.5907	0.044*
H12B	0.3673	0.3555	0.6499	0.044*
C13	0.39244 (14)	0.1753 (3)	0.6804 (2)	0.0351 (7)
C14	0.39025 (14)	0.1515 (3)	0.7764 (2)	0.0345 (7)
C15	0.35436 (16)	0.2220 (3)	0.8039 (2)	0.0432 (8)
H15	0.3320	0.2899	0.7632	0.052*
C16	0.35119 (18)	0.1929 (4)	0.8912 (3)	0.0551 (10)
H16	0.3268	0.2414	0.9102	0.066*
C17	0.38329 (16)	0.0941 (3)	0.9503 (3)	0.0442 (8)
H17	0.3802	0.0735	1.0091	0.053*
C18	0.41977 (15)	0.0256 (3)	0.9241 (2)	0.0389 (7)
H18	0.4425	−0.0417	0.9656	0.047*
C19	0.42368 (15)	0.0537 (3)	0.8375 (2)	0.0378 (7)
H19	0.4492	0.0063	0.8200	0.045*