x	y	z	Uiso*/Ueq
S1	1.10290 (3)	−0.14637 (3)	0.38774 (2)	0.02184 (10)
S2	0.97356 (3)	−0.08216 (3)	0.33328 (2)	0.01709 (9)
S3	0.91337 (3)	0.40012 (3)	0.40152 (3)	0.02362 (10)
O1	1.08885 (10)	−0.18335 (9)	0.67591 (8)	0.0223 (3)
O2	0.77376 (8)	−0.09984 (8)	0.61157 (7)	0.0141 (2)
O3	0.69383 (9)	−0.08629 (9)	0.74184 (7)	0.0190 (2)
O4	0.85790 (9)	−0.16775 (8)	0.88174 (7)	0.0140 (2)
H4	0.8699 (17)	−0.2254 (7)	0.9016 (13)	0.021*
O5	1.11125 (9)	0.14154 (8)	0.55597 (7)	0.0179 (2)
O6	0.86120 (9)	0.12479 (8)	0.64747 (7)	0.0158 (2)
N1	0.99720 (10)	−0.04020 (10)	0.70173 (8)	0.0128 (3)
H1	0.9652 (14)	0.0126 (9)	0.6798 (12)	0.015*
N2	1.00458 (10)	0.00984 (9)	0.52676 (8)	0.0121 (2)
H2	0.9444 (8)	−0.0082 (14)	0.5038 (12)	0.014*
N3	0.83857 (10)	0.13784 (10)	0.50282 (8)	0.0138 (3)
H3	0.7955 (12)	0.1335 (15)	0.4584 (8)	0.017*
C1	1.05386 (12)	−0.10227 (12)	0.65205 (10)	0.0143 (3)
C2	1.07489 (12)	−0.06840 (11)	0.55727 (9)	0.0131 (3)
H2A	1.1482	−0.0423	0.5537	0.016*
C3	1.06714 (13)	−0.16258 (12)	0.50086 (10)	0.0174 (3)
H3A	0.9943	−0.1877	0.5034	0.021*
H3B	1.1128	−0.2151	0.5262	0.021*
C4	0.88346 (14)	−0.18723 (13)	0.31638 (11)	0.0202 (3)
H4A	0.8850	−0.2082	0.2548	0.024*
H4B	0.9052	−0.2453	0.3524	0.024*
C5	0.77251 (12)	−0.15466 (13)	0.34132 (11)	0.0190 (3)
H5A	0.7542	−0.0927	0.3091	0.023*
H5B	0.7225	−0.2079	0.3240	0.023*
C6	0.76184 (12)	−0.13526 (13)	0.43705 (10)	0.0173 (3)
H6	0.7980	−0.1793	0.4752	0.021*
C7	0.70632 (12)	−0.06202 (12)	0.47258 (10)	0.0162 (3)
H7	0.6720	−0.0170	0.4341	0.019*
C8	0.69224 (12)	−0.04303 (12)	0.56827 (10)	0.0154 (3)
H8	0.6227	−0.0704	0.5865	0.018*
C9	0.76158 (12)	−0.12126 (11)	0.69723 (10)	0.0136 (3)
C10	0.84280 (12)	−0.19799 (11)	0.72498 (10)	0.0138 (3)
H10A	0.8877	−0.2133	0.6743	0.017*
H10B	0.8059	−0.2608	0.7409	0.017*
C11	0.91409 (12)	−0.16801 (11)	0.80094 (9)	0.0127 (3)
H11	0.9724	−0.2180	0.8051	0.015*
C12	0.96190 (12)	−0.06200 (11)	0.79096 (9)	0.0125 (3)
H12	0.9029	−0.0143	0.8019	0.015*
C13	1.04416 (12)	−0.03790 (11)	0.86101 (10)	0.0146 (3)
H13	1.0124	−0.0559	0.9182	0.017*
C14	1.06664 (13)	0.07539 (12)	0.86315 (10)	0.0184 (3)
H14A	1.1138	0.0927	0.8144	0.022*
H14B	1.0002	0.1125	0.8548	0.022*
C15	1.11702 (14)	0.10927 (13)	0.94810 (11)	0.0222 (3)
H15A	1.0677	0.0988	0.9960	0.033*
H15B	1.1350	0.1808	0.9443	0.033*
H15C	1.1807	0.0700	0.9585	0.033*
C16	1.14602 (12)	−0.09806 (13)	0.85283 (10)	0.0184 (3)
H16A	1.1848	−0.0752	0.8017	0.028*
H16B	1.1296	−0.1697	0.8467	0.028*
H16C	1.1888	−0.0878	0.9048	0.028*
C17	1.02739 (12)	0.10824 (11)	0.52881 (9)	0.0134 (3)
C18	0.94399 (12)	0.17890 (11)	0.49209 (10)	0.0138 (3)
H18	0.9480	0.2442	0.5241	0.017*
C19	0.80478 (12)	0.11430 (11)	0.58346 (10)	0.0141 (3)
C20	0.69604 (12)	0.06994 (12)	0.59060 (10)	0.0160 (3)
H20A	0.6486	0.1068	0.5510	0.019*
H20B	0.6701	0.0797	0.6505	0.019*
C21	0.96752 (13)	0.19916 (11)	0.39575 (10)	0.0158 (3)
H21A	1.0409	0.2224	0.3904	0.019*
H21B	0.9613	0.1351	0.3634	0.019*
C22	0.89580 (13)	0.27705 (12)	0.35353 (10)	0.0168 (3)
H22A	0.8220	0.2558	0.3605	0.020*
H22B	0.9112	0.2807	0.2907	0.020*
C23	0.82077 (15)	0.46899 (14)	0.33643 (12)	0.0250 (4)
H23A	0.8190	0.5393	0.3554	0.037*
H23B	0.7510	0.4392	0.3431	0.037*
H23C	0.8419	0.4659	0.2754	0.037*