x	y	z	Uiso*/Ueq
S1	0.33764 (12)	0.37913 (11)	0.01567 (9)	0.0531 (3)
S2	0.6657 (3)	0.6243 (2)	0.50488 (14)	0.0889 (5)
O1	−0.0384 (5)	0.8665 (5)	−0.1269 (3)	0.0695 (9)
O2	−0.0964 (4)	1.0714 (4)	0.1973 (3)	0.0601 (8)
H2A	−0.139807	1.152553	0.240566	0.090*
O3	0.4728 (4)	0.6066 (5)	−0.1353 (3)	0.0626 (8)
O4	0.3985 (4)	0.8733 (4)	−0.1081 (3)	0.0589 (8)
O5	0.4493 (5)	1.0081 (6)	−0.2577 (4)	0.0781 (11)
O6	0.2673 (7)	0.7659 (6)	−0.3881 (6)	0.1060 (16)
N1	0.1226 (4)	0.7928 (4)	0.0285 (3)	0.0447 (7)
N2	0.5213 (7)	0.3896 (6)	0.2801 (4)	0.0737 (12)
N3	0.7629 (6)	0.3330 (6)	0.3725 (4)	0.0679 (11)
C1	−0.0250 (6)	0.8214 (6)	−0.0352 (4)	0.0486 (9)
C2	−0.1483 (5)	0.7724 (5)	0.0574 (4)	0.0455 (8)
H2B	−0.238265	0.661201	0.014328	0.055*
C3	0.0144 (5)	0.7296 (5)	0.1179 (4)	0.0442 (8)
H3B	0.050788	0.808606	0.205772	0.053*
C4	0.0397 (6)	0.5350 (6)	0.0968 (4)	0.0498 (9)
H4A	0.058878	0.516830	0.178516	0.060*
C5	0.2114 (5)	0.5408 (5)	0.0341 (4)	0.0437 (8)
C6	0.2416 (5)	0.6785 (5)	−0.0123 (4)	0.0436 (8)
C7	−0.2320 (5)	0.9153 (5)	0.1391 (4)	0.0483 (9)
H7A	−0.316888	0.944012	0.085209	0.058*
C8	−0.3299 (7)	0.8508 (7)	0.2361 (5)	0.0651 (12)
H8A	−0.421147	0.744567	0.193571	0.098*
H8B	−0.247930	0.822482	0.289674	0.098*
H8C	−0.382809	0.944259	0.286473	0.098*
C9	−0.1081 (6)	0.3822 (7)	0.0108 (7)	0.0762 (16)
H9A	−0.215396	0.379378	0.050815	0.114*
H9B	−0.127753	0.402322	−0.068287	0.114*
H9C	−0.073970	0.268830	−0.004165	0.114*
C10	0.3811 (5)	0.7099 (6)	−0.0923 (4)	0.0472 (9)
C11	0.2935 (6)	0.3012 (6)	0.1482 (5)	0.0535 (10)
H11A	0.175564	0.222769	0.139734	0.064*
C12	0.4501 (6)	0.2200 (5)	0.1758 (5)	0.0532 (10)
H12A	0.415244	0.115292	0.202918	0.064*
H12B	0.525236	0.196247	0.108146	0.064*
C13	0.3520 (6)	0.4482 (6)	0.2791 (5)	0.0581 (11)
H13A	0.364717	0.570857	0.277752	0.070*
H13B	0.280849	0.428426	0.344663	0.070*
C14	0.6465 (6)	0.4232 (6)	0.3738 (4)	0.0559 (11)
C15	0.8971 (11)	0.4207 (12)	0.4850 (8)	0.116 (3)
H15A	1.004355	0.482093	0.461013	0.140*
H15B	0.927124	0.329086	0.516839	0.140*
C16	0.8293 (11)	0.5528 (11)	0.5860 (6)	0.098 (2)
H16A	0.924735	0.655012	0.632517	0.118*
H16B	0.775573	0.496738	0.644719	0.118*
C17	0.5186 (7)	0.9092 (9)	−0.1956 (6)	0.0739 (14)
H17A	0.634318	0.976545	−0.150543	0.089*
H17B	0.532612	0.796482	−0.255647	0.089*
C18	0.3224 (8)	0.9266 (8)	−0.3535 (5)	0.0724 (14)
C19	0.2625 (11)	1.0577 (9)	−0.4111 (5)	0.0854 (18)
C20	0.406 (2)	1.2163 (17)	−0.4024 (14)	0.181 (6)
H20A	0.455241	1.276802	−0.315584	0.271*
H20B	0.497695	1.176572	−0.451723	0.271*
H20C	0.358495	1.298285	−0.434103	0.271*
C21	0.179 (2)	0.9556 (19)	−0.5419 (9)	0.183 (6)
H21A	0.087040	0.855032	−0.541445	0.274*
H21B	0.127395	1.033571	−0.575774	0.274*
H21C	0.266596	0.911858	−0.593394	0.274*
C22	0.1304 (18)	1.1339 (17)	−0.3284 (9)	0.142 (4)
H22A	0.188241	1.199331	−0.244299	0.213*
H22B	0.082558	1.214142	−0.361897	0.213*
H22C	0.035952	1.036984	−0.326218	0.213*