x	y	z	Uiso*/Ueq
S1	0.21741 (4)	0.87614 (3)	0.41260 (4)	0.02391 (9)
S2	0.21966 (4)	0.75561 (3)	0.35057 (4)	0.02177 (9)
O1	0.47759 (11)	0.86900 (7)	−0.17912 (11)	0.0166 (2)
O2	0.54893 (12)	0.83426 (7)	−0.39718 (11)	0.0228 (2)
O3	0.73140 (12)	1.08712 (7)	−0.12864 (11)	0.0188 (2)
O4	0.48889 (12)	1.02648 (7)	0.11054 (12)	0.0234 (2)
O5	0.68455 (11)	0.76827 (7)	−0.04745 (11)	0.0206 (2)
O6	0.74839 (11)	0.82368 (7)	0.32442 (11)	0.0175 (2)
N1	0.72350 (14)	0.94804 (8)	−0.11503 (13)	0.0155 (2)
H3	0.724 (2)	0.9060 (13)	−0.063 (2)	0.019*
N2	0.70812 (14)	0.97489 (8)	0.18875 (13)	0.0170 (3)
H4	0.750 (2)	0.9394 (13)	0.237 (2)	0.020*
N3	0.54236 (14)	0.69120 (8)	0.09041 (13)	0.0153 (2)
H16	0.467 (2)	0.6595 (13)	0.099 (2)	0.018*
N4	0.51449 (14)	0.83271 (8)	0.23715 (14)	0.0159 (3)
H18	0.454 (2)	0.8103 (13)	0.195 (2)	0.019*
C1	0.37318 (16)	0.80077 (9)	−0.18177 (16)	0.0171 (3)
H1	0.3247	0.7979	−0.2786	0.021*
C2	0.56600 (16)	0.87327 (10)	−0.28962 (14)	0.0168 (3)
C3	0.68786 (16)	0.93675 (10)	−0.26594 (15)	0.0167 (3)
H2	0.6488	0.9905	−0.3027	0.020*
C4	0.74312 (15)	1.02321 (10)	−0.05887 (15)	0.0157 (3)
C5	0.78862 (16)	1.02503 (9)	0.09680 (15)	0.0172 (3)
C6	0.55899 (17)	0.97821 (9)	0.18570 (15)	0.0169 (3)
C7	0.48646 (16)	0.91621 (10)	0.28501 (15)	0.0171 (3)
H5A	0.5281	0.9234	0.3839	0.021*
C8	0.32175 (17)	0.93220 (10)	0.28278 (16)	0.0200 (3)
H6	0.2808	0.9185	0.1869	0.024*
H7	0.3061	0.9918	0.2977	0.024*
C9	0.05712 (16)	0.74578 (10)	0.23338 (17)	0.0216 (3)
H8	0.0435	0.6869	0.2092	0.026*
H9	−0.0295	0.7635	0.2860	0.026*
C10	0.06058 (16)	0.79491 (11)	0.09558 (17)	0.0214 (3)
H10	−0.0326	0.7857	0.0404	0.026*
H11	0.0667	0.8543	0.1189	0.026*
C11	0.18736 (16)	0.77249 (10)	0.00426 (16)	0.0190 (3)
H12	0.2182	0.7166	0.0052	0.023*
C12	0.25928 (16)	0.82409 (10)	−0.07712 (17)	0.0190 (3)
H13	0.2369	0.8810	−0.0687	0.023*
C13	0.45645 (17)	0.71982 (10)	−0.15341 (15)	0.0172 (3)
H14	0.3854	0.6764	−0.1291	0.021*
H15	0.5048	0.7027	−0.2411	0.021*
C14	0.57163 (16)	0.72764 (9)	−0.03355 (15)	0.0162 (3)
C15	0.64392 (16)	0.70259 (9)	0.21230 (15)	0.0154 (3)
H17	0.7451	0.6916	0.1792	0.018*
C16	0.64070 (16)	0.79203 (9)	0.26422 (14)	0.0153 (3)
C17	0.82380 (17)	0.91592 (10)	−0.35219 (16)	0.0199 (3)
H19	0.7900	0.9098	−0.4539	0.024*
C18	0.93314 (19)	0.98732 (11)	−0.34389 (17)	0.0274 (4)
H22	0.8836	1.0383	−0.3742	0.041*
H21	1.0145	0.9761	−0.4063	0.041*
H20	0.9714	0.9934	−0.2459	0.041*
C19	0.89729 (19)	0.83572 (11)	−0.30681 (18)	0.0257 (4)
H24	0.9370	0.8410	−0.2091	0.039*
H25	0.9773	0.8234	−0.3703	0.039*
H23	0.8250	0.7910	−0.3118	0.039*
C20	0.90281 (18)	1.07072 (10)	0.14031 (17)	0.0230 (3)
H26	0.9536	1.1000	0.0699	0.028*
C21	0.9578 (2)	1.07966 (13)	0.2911 (2)	0.0358 (4)
H27	0.8802	1.0637	0.3550	0.054*
H29	0.9856	1.1371	0.3093	0.054*
H28	1.0436	1.0441	0.3079	0.054*
C22	0.61246 (18)	0.63859 (10)	0.32827 (17)	0.0201 (3)
H30	0.5052	0.6402	0.3475	0.024*
C23	0.65029 (19)	0.55289 (10)	0.27385 (19)	0.0253 (3)
H31	0.5935	0.5418	0.1855	0.038*
H32	0.6262	0.5117	0.3453	0.038*
H33	0.7555	0.5502	0.2558	0.038*
C24	0.6992 (2)	0.65666 (11)	0.46668 (18)	0.0301 (4)
H35	0.8045	0.6571	0.4488	0.045*
H34	0.6786	0.6140	0.5368	0.045*
H36	0.6700	0.7105	0.5033	0.045*