x	y	z	Uiso*/Ueq
Zn	0.58274 (2)	0.37086 (2)	0.20624 (2)	0.01673 (7)
S1	0.58652 (4)	0.44525 (3)	0.10903 (3)	0.02441 (12)
S2	0.58396 (4)	0.23003 (3)	0.22591 (3)	0.01931 (11)
O1	0.55672 (12)	0.15118 (10)	0.65080 (8)	0.0303 (4)
O2	0.50717 (14)	0.05390 (9)	0.57014 (9)	0.0369 (4)
O3	0.54146 (13)	0.94898 (9)	0.17974 (8)	0.0329 (4)
O4	0.61311 (15)	0.99625 (9)	0.28598 (9)	0.0420 (4)
N1	0.46644 (12)	0.45354 (9)	0.21386 (8)	0.0158 (3)
N2	0.44712 (12)	0.52228 (10)	0.16827 (8)	0.0168 (3)
N3	0.48578 (14)	0.58845 (11)	0.07532 (9)	0.0214 (4)
H3N	0.5220 (15)	0.5835 (13)	0.0455 (10)	0.020 (6)*
N4	0.52155 (14)	0.12782 (11)	0.58837 (10)	0.0238 (4)
N5	0.68182 (12)	0.38332 (9)	0.30981 (8)	0.0154 (3)
N6	0.70509 (13)	0.30949 (9)	0.34901 (9)	0.0171 (3)
N7	0.68388 (14)	0.16658 (10)	0.35245 (9)	0.0199 (4)
H7N	0.6565 (16)	0.1232 (10)	0.3266 (10)	0.026 (6)*
N8	0.59028 (13)	0.93859 (10)	0.24236 (9)	0.0212 (4)
C1	0.45854 (15)	0.23217 (12)	0.41034 (11)	0.0202 (4)
H1	0.453813	0.217926	0.362427	0.024*
C2	0.48297 (16)	0.17003 (13)	0.46245 (11)	0.0218 (4)
H2	0.491912	0.112986	0.450476	0.026*
C3	0.49404 (15)	0.19296 (12)	0.53227 (11)	0.0198 (4)
C4	0.47873 (15)	0.27476 (12)	0.55129 (11)	0.0202 (4)
H4	0.487903	0.289001	0.599854	0.024*
C5	0.44979 (15)	0.33557 (12)	0.49829 (11)	0.0201 (4)
H5	0.435907	0.391535	0.510350	0.024*
C6	0.44065 (14)	0.31582 (12)	0.42709 (10)	0.0176 (4)
C7	0.41199 (15)	0.38247 (12)	0.37269 (10)	0.0179 (4)
H7	0.373314	0.429169	0.381690	0.022*
C8	0.43599 (15)	0.38270 (12)	0.31141 (10)	0.0174 (4)
H8	0.468932	0.333854	0.300077	0.021*
C9	0.41514 (15)	0.45260 (12)	0.26090 (10)	0.0165 (4)
C10	0.33978 (15)	0.52098 (12)	0.26386 (10)	0.0168 (4)
C11	0.23278 (16)	0.50424 (13)	0.24251 (11)	0.0229 (4)
H11	0.207955	0.448858	0.228010	0.027*
C12	0.16233 (17)	0.56849 (15)	0.24240 (12)	0.0282 (5)
H12	0.089173	0.557323	0.226578	0.034*
C13	0.19822 (18)	0.64882 (14)	0.26526 (11)	0.0281 (5)
H13	0.149830	0.692385	0.266047	0.034*
C14	0.30442 (18)	0.66550 (13)	0.28691 (12)	0.0269 (5)
H14	0.328964	0.720644	0.302532	0.032*
C15	0.37555 (16)	0.60205 (13)	0.28596 (11)	0.0223 (4)
H15	0.448522	0.613961	0.300379	0.027*
C16	0.49833 (15)	0.52179 (12)	0.12093 (10)	0.0181 (4)
C17	0.43201 (16)	0.66552 (12)	0.07269 (11)	0.0207 (4)
C18	0.45367 (17)	0.72857 (13)	0.02964 (11)	0.0257 (5)
H18	0.499997	0.717405	0.002519	0.031*
C19	0.40772 (17)	0.80745 (14)	0.02638 (12)	0.0304 (5)
H19	0.422299	0.849898	−0.003447	0.037*
C20	0.34085 (18)	0.82520 (14)	0.06602 (13)	0.0332 (5)
H20	0.310569	0.879725	0.064307	0.040*
C21	0.31882 (17)	0.76236 (14)	0.10812 (13)	0.0315 (5)
H21	0.272830	0.774161	0.135360	0.038*
C22	0.36257 (16)	0.68213 (13)	0.11149 (12)	0.0259 (5)
H22	0.345390	0.639214	0.139829	0.031*
C23	0.70309 (15)	0.76045 (12)	0.36476 (11)	0.0194 (4)
H23	0.740369	0.751645	0.413851	0.023*
C24	0.67607 (15)	0.84148 (12)	0.33996 (11)	0.0195 (4)
H24	0.694471	0.888503	0.371405	0.023*
C25	0.62165 (15)	0.85267 (11)	0.26834 (11)	0.0169 (4)
C26	0.59400 (15)	0.78618 (12)	0.22071 (11)	0.0195 (4)
H26	0.557032	0.795631	0.171657	0.023*
C27	0.62175 (16)	0.70522 (12)	0.24655 (11)	0.0203 (4)
H27	0.603312	0.658577	0.214698	0.024*
C28	0.67624 (14)	0.69108 (11)	0.31847 (10)	0.0160 (4)
C29	0.70270 (15)	0.60651 (12)	0.34873 (11)	0.0182 (4)
H29	0.733633	0.603231	0.399152	0.022*
C30	0.68795 (15)	0.53321 (12)	0.31287 (11)	0.0174 (4)
H30	0.662728	0.534603	0.262062	0.021*
C31	0.70882 (14)	0.45193 (11)	0.34831 (10)	0.0161 (4)
C32	0.75469 (15)	0.44706 (11)	0.42785 (10)	0.0172 (4)
C33	0.68844 (17)	0.44340 (12)	0.47036 (11)	0.0232 (4)
H33	0.614641	0.445966	0.448801	0.028*
C34	0.72993 (18)	0.43605 (13)	0.54392 (12)	0.0276 (5)
H34	0.684477	0.432751	0.572662	0.033*
C35	0.83700 (19)	0.43348 (13)	0.57565 (12)	0.0286 (5)
H35	0.865457	0.429202	0.626204	0.034*
C36	0.90223 (18)	0.43714 (14)	0.53374 (12)	0.0306 (5)
H36	0.975996	0.435308	0.555597	0.037*
C37	0.86174 (17)	0.44350 (14)	0.45986 (11)	0.0259 (5)
H37	0.907621	0.445393	0.431367	0.031*
C38	0.66455 (15)	0.24045 (12)	0.31503 (10)	0.0166 (4)
C39	0.72045 (15)	0.15319 (12)	0.42737 (11)	0.0198 (4)
C40	0.76208 (17)	0.21521 (14)	0.47840 (11)	0.0277 (5)
H40	0.773700	0.270666	0.463945	0.033*
C41	0.78648 (18)	0.19551 (14)	0.55048 (12)	0.0314 (5)
H41	0.813842	0.238257	0.585148	0.038*
C42	0.77190 (18)	0.11516 (14)	0.57297 (12)	0.0306 (5)
H42	0.787784	0.102876	0.622539	0.037*
C43	0.73386 (19)	0.05284 (14)	0.52240 (13)	0.0334 (5)
H43	0.725650	−0.003121	0.537320	0.040*
C44	0.70773 (18)	0.07131 (13)	0.45040 (12)	0.0286 (5)
H44	0.680855	0.028083	0.416101	0.034*