x	y	z	Uiso*/Ueq
S1	0.17772 (8)	0.49921 (4)	0.37557 (4)	0.01431 (15)
S2	0.88938 (8)	0.99725 (4)	0.36763 (4)	0.01686 (16)
O5	0.0868 (3)	0.46728 (13)	0.43037 (11)	0.0198 (4)
O10	0.3080 (3)	0.75413 (13)	0.36853 (12)	0.0189 (4)
O4	0.2618 (3)	0.58342 (12)	0.39552 (12)	0.0222 (4)
O7	1.0147 (3)	0.97468 (16)	0.43079 (12)	0.0274 (5)
O6	0.7498 (3)	0.25632 (14)	0.35776 (12)	0.0191 (4)
N11	0.4365 (3)	0.18427 (15)	0.35601 (13)	0.0168 (5)
O3	0.0728 (3)	0.49865 (13)	0.30454 (12)	0.0251 (5)
N14	0.0994 (3)	0.57921 (17)	0.61872 (14)	0.0228 (5)
O9	0.9547 (3)	0.98318 (15)	0.30206 (12)	0.0253 (5)
N18	1.0806 (4)	1.06837 (18)	0.62048 (15)	0.0283 (6)
N12	0.6186 (3)	0.68257 (14)	0.36322 (13)	0.0153 (5)
N17	1.3114 (3)	1.31360 (18)	0.63022 (14)	0.0268 (6)
N13	0.3275 (3)	0.82252 (17)	0.60874 (14)	0.0248 (6)
C25	0.3141 (4)	0.33136 (18)	0.36637 (15)	0.0132 (5)
N16	−0.3146 (4)	0.16966 (18)	0.60144 (14)	0.0300 (6)
N15	−0.0827 (3)	0.41978 (17)	0.61461 (14)	0.0258 (6)
C30	0.4422 (3)	0.80852 (18)	0.36639 (15)	0.0152 (6)
N20	0.6851 (4)	0.65381 (18)	0.61189 (15)	0.0297 (6)
C29	0.4524 (4)	0.27401 (18)	0.36172 (15)	0.0141 (5)
N19	0.9083 (4)	0.90581 (18)	0.61654 (15)	0.0271 (6)
C35	0.9054 (4)	0.79031 (19)	0.36300 (15)	0.0157 (5)
H35	1.003375	0.825760	0.363038	0.019*
O8	0.8170 (3)	1.08342 (14)	0.37345 (18)	0.0427 (7)
C48	−0.2420 (4)	0.25088 (19)	0.60531 (16)	0.0222 (6)
C23	0.5063 (4)	0.45581 (18)	0.37350 (16)	0.0165 (6)
H23	0.525964	0.517580	0.378068	0.020*
C24	0.3458 (4)	0.42408 (18)	0.37218 (15)	0.0156 (6)
C27	0.1385 (4)	0.20164 (19)	0.35746 (16)	0.0195 (6)
H27	0.031056	0.173969	0.355266	0.023*
C26	0.1533 (4)	0.29119 (19)	0.36372 (15)	0.0162 (6)
H26	0.056312	0.326366	0.366290	0.019*
C34	0.7451 (3)	0.82997 (18)	0.36388 (15)	0.0137 (5)
C49	−0.2102 (4)	0.29987 (19)	0.66961 (16)	0.0224 (6)
H49	−0.243039	0.277078	0.711817	0.027*
C31	0.4187 (4)	0.89824 (19)	0.36710 (17)	0.0192 (6)
H31	0.309000	0.921934	0.367659	0.023*
C38	0.6054 (4)	0.77244 (17)	0.36430 (15)	0.0130 (5)
C28	0.2840 (4)	0.15080 (18)	0.35428 (16)	0.0197 (6)
H28	0.271473	0.088498	0.350666	0.024*
C33	0.7176 (4)	0.92240 (18)	0.36554 (15)	0.0152 (5)
C61	0.8018 (4)	0.7746 (2)	0.55202 (16)	0.0215 (6)
H61	0.781003	0.744043	0.507393	0.026*
C54	1.1908 (4)	1.1940 (2)	0.68862 (16)	0.0220 (6)
H54	1.212304	1.223795	0.733567	0.026*
C36	0.9166 (4)	0.70039 (19)	0.36211 (16)	0.0184 (6)
H36	1.022730	0.672608	0.361413	0.022*
C62	0.7562 (4)	0.7356 (2)	0.61344 (17)	0.0237 (6)
C60	0.8763 (4)	0.8566 (2)	0.55657 (17)	0.0257 (7)
H60	0.907308	0.880142	0.514258	0.031*
C50	−0.1315 (4)	0.3809 (2)	0.67126 (17)	0.0247 (6)
H50	−0.110204	0.411581	0.715822	0.030*
C22	0.6432 (4)	0.39925 (19)	0.36825 (17)	0.0193 (6)
H22	0.753237	0.423009	0.368649	0.023*
C40	0.2142 (4)	0.7096 (2)	0.67653 (16)	0.0209 (6)
H40	0.240263	0.743534	0.719363	0.025*
C53	1.1159 (4)	1.1131 (2)	0.68335 (18)	0.0257 (7)
H53	1.087382	1.087116	0.725275	0.031*
C37	0.7696 (4)	0.64896 (18)	0.36221 (17)	0.0183 (6)
H37	0.780438	0.586507	0.361522	0.022*
C42	0.2165 (4)	0.6872 (2)	0.55097 (16)	0.0229 (6)
H42	0.243782	0.705189	0.506333	0.027*
C41	0.2560 (4)	0.74334 (19)	0.61167 (16)	0.0200 (6)
C21	0.6173 (4)	0.30979 (18)	0.36257 (15)	0.0145 (5)
C47	−0.1930 (4)	0.2920 (2)	0.54526 (16)	0.0237 (6)
H47	−0.212812	0.263269	0.499838	0.028*
C64	0.8639 (4)	0.8686 (2)	0.67528 (18)	0.0296 (7)
H64	0.885457	0.901387	0.718843	0.036*
C55	1.2371 (4)	1.23419 (19)	0.62685 (16)	0.0218 (6)
C52	−0.3516 (5)	0.1263 (2)	0.66566 (19)	0.0318 (7)
H52A	−0.246320	0.120190	0.701170	0.048*
H52B	−0.399916	0.067773	0.652889	0.048*
H52C	−0.433271	0.161935	0.686096	0.048*
C63	0.7900 (4)	0.7873 (2)	0.67674 (17)	0.0282 (7)
H63	0.761539	0.765609	0.720146	0.034*
C44	0.3650 (5)	0.8790 (2)	0.67269 (19)	0.0302 (7)
H44A	0.258673	0.894730	0.688314	0.045*
H44B	0.422323	0.932840	0.661072	0.045*
H44C	0.439097	0.847174	0.711421	0.045*
C46	−0.1165 (4)	0.3737 (2)	0.55256 (17)	0.0250 (6)
H46	−0.085302	0.399369	0.511048	0.030*
C43	0.1398 (4)	0.6079 (2)	0.55592 (17)	0.0238 (6)
H43	0.113795	0.571602	0.514381	0.029*
C39	0.1381 (4)	0.6302 (2)	0.67832 (17)	0.0230 (6)
H39	0.111083	0.609654	0.722336	0.028*
C32	0.5578 (4)	0.95491 (19)	0.36698 (17)	0.0202 (6)
H32	0.541065	1.016967	0.367926	0.024*
C56	1.2007 (4)	1.1840 (2)	0.56237 (17)	0.0252 (6)
H56	1.230849	1.206924	0.519661	0.030*
C58	1.3420 (5)	1.3650 (2)	0.69703 (19)	0.0322 (7)
H58A	1.233475	1.377047	0.712141	0.048*
H58B	1.397149	1.420969	0.688945	0.048*
H58C	1.415965	1.331447	0.734677	0.048*
C57	1.1241 (4)	1.1046 (2)	0.56067 (18)	0.0292 (7)
H57	1.100001	1.073059	0.516531	0.035*
C66	0.6549 (5)	0.6125 (2)	0.6777 (2)	0.0355 (8)
H66A	0.761279	0.610761	0.712932	0.053*
H66B	0.613111	0.552185	0.667276	0.053*
H66C	0.569870	0.646643	0.697307	0.053*
C51	−0.3476 (5)	0.1193 (2)	0.53443 (18)	0.0345 (8)
H51A	−0.429289	0.151412	0.498551	0.052*
H51B	−0.394504	0.061445	0.543216	0.052*
H51C	−0.241090	0.111422	0.516567	0.052*
C45	0.3605 (5)	0.8585 (2)	0.54079 (18)	0.0316 (7)
H45A	0.434078	0.817948	0.520221	0.047*
H45B	0.416725	0.916003	0.549571	0.047*
H45C	0.252586	0.865738	0.507093	0.047*
C65	0.6452 (5)	0.6043 (2)	0.54515 (19)	0.0320 (7)
H65A	0.569908	0.639435	0.509079	0.048*
H65B	0.588361	0.549017	0.553627	0.048*
H65C	0.750475	0.591031	0.527717	0.048*
C59	1.3515 (5)	1.3552 (2)	0.5656 (2)	0.0355 (8)
H59A	1.429459	1.317305	0.545016	0.053*
H59B	1.405242	1.412637	0.578214	0.053*
H59C	1.246532	1.363609	0.530309	0.053*
H14	0.047 (5)	0.5262 (17)	0.616 (2)	0.029 (9)*
H10	0.336 (6)	0.697 (3)	0.372 (2)	0.037 (11)*
H18	1.027 (6)	1.016 (2)	0.618 (3)	0.057 (15)*
H6	0.714 (6)	0.204 (3)	0.357 (2)	0.039 (12)*