x	y	z	Uiso*/Ueq
Na1	0.62174 (8)	0.7233 (3)	0.43117 (11)	0.0209 (4)
Na2	0.63035 (8)	0.2253 (3)	0.42791 (11)	0.0205 (4)
N1	0.55812 (13)	0.4551 (4)	0.55069 (17)	0.0169 (6)
C2	0.5074 (3)	0.5199 (5)	0.5651 (4)	0.0192 (12)
C3	0.4871 (3)	0.5177 (5)	0.6318 (4)	0.0254 (14)
H3	0.4518	0.5612	0.6413	0.031*
C4	0.51902 (17)	0.4511 (5)	0.6844 (2)	0.0284 (8)
H4	0.5059	0.4482	0.7310	0.034*
C5	0.57028 (13)	0.3880 (5)	0.66984 (17)	0.0261 (8)
H5	0.5923	0.3419	0.7064	0.031*
C6	0.58936 (13)	0.3919 (4)	0.60254 (17)	0.0233 (7)
H6	0.6247	0.3498	0.5927	0.028*
O7	0.57443 (13)	0.4583 (4)	0.48528 (17)	0.0221 (6)
S8	0.47870 (3)	0.60118 (11)	0.48539 (5)	0.02044 (17)
S9	0.40763 (3)	0.71334 (11)	0.51954 (5)	0.02278 (18)
C10	0.3632 (2)	0.5278 (6)	0.5114 (3)	0.0194 (10)
N11	0.31067 (11)	0.5830 (4)	0.50875 (14)	0.0217 (6)
C12	0.27083 (19)	0.4613 (6)	0.4983 (3)	0.0257 (10)
H12	0.2348	0.5032	0.4931	0.031*
C13	0.28145 (15)	0.2766 (6)	0.49496 (19)	0.0247 (9)
H13	0.2530	0.1922	0.4873	0.030*
C14	0.33365 (14)	0.2158 (5)	0.50285 (17)	0.0245 (8)
H14	0.3414	0.0889	0.5026	0.029*
C15	0.37491 (14)	0.3433 (5)	0.51114 (17)	0.0208 (7)
H15	0.4111	0.3034	0.5166	0.025*
O16	0.30158 (11)	0.7595 (4)	0.51612 (17)	0.0334 (7)
N17	0.68938 (18)	0.4697 (4)	0.3143 (2)	0.0169 (8)
C18	0.65984 (13)	0.3867 (4)	0.26226 (16)	0.0202 (7)
C19	0.68407 (14)	0.3771 (5)	0.19601 (17)	0.0263 (8)
H19	0.6645	0.3237	0.1585	0.032*
C20	0.73511 (18)	0.4424 (6)	0.1836 (2)	0.0320 (9)
H20	0.7508	0.4317	0.1385	0.038*
C21	0.7630 (2)	0.5230 (5)	0.2370 (3)	0.0292 (13)
H21	0.7981	0.5705	0.2288	0.035*
C22	0.7405 (2)	0.5353 (5)	0.3019 (3)	0.0234 (10)
H22	0.7603	0.5895	0.3390	0.028*
O23	0.67089 (18)	0.4834 (3)	0.3798 (3)	0.0219 (9)
S24	0.59697 (3)	0.30128 (11)	0.28014 (5)	0.02486 (19)
N25	0.5601 (2)	0.9741 (4)	0.5395 (3)	0.0210 (9)
C26	0.51021 (18)	1.0416 (6)	0.5488 (2)	0.0223 (9)
H26	0.4923	1.0962	0.5103	0.027*
C27	0.4846 (2)	1.0345 (6)	0.6115 (3)	0.0295 (11)
H27	0.4490	1.0807	0.6166	0.035*
C28	0.5116 (2)	0.9575 (6)	0.6683 (2)	0.0347 (10)
H28	0.4948	0.9502	0.7128	0.042*
C29	0.56242 (15)	0.8933 (5)	0.65881 (19)	0.0320 (8)
H29	0.5810	0.8448	0.6980	0.038*
C30	0.58885 (13)	0.8950 (4)	0.59367 (17)	0.0230 (7)
O31	0.58128 (18)	0.9846 (3)	0.4763 (2)	0.0212 (9)
S32	0.65125 (3)	0.80270 (12)	0.57957 (5)	0.0296 (2)
C33	0.8877 (2)	0.0209 (5)	0.3402 (3)	0.0169 (10)
N34	0.93985 (10)	0.0766 (4)	0.34558 (13)	0.0190 (6)
C35	0.97985 (18)	−0.0463 (6)	0.3550 (2)	0.0258 (9)
H35	1.0159	−0.0058	0.3612	0.031*
C36	0.96829 (16)	−0.2304 (6)	0.3558 (2)	0.0292 (10)
H36	0.9966	−0.3161	0.3620	0.035*
C37	0.91595 (14)	−0.2915 (5)	0.34758 (18)	0.0269 (8)
H37	0.9080	−0.4183	0.3469	0.032*
C38	0.87541 (14)	−0.1622 (5)	0.34031 (18)	0.0233 (7)
H38	0.8390	−0.2004	0.3354	0.028*
O39	0.94960 (10)	0.2526 (4)	0.33994 (15)	0.0264 (6)
S40	0.84312 (3)	0.20813 (11)	0.33478 (5)	0.02221 (17)
S41	0.77227 (3)	0.09806 (11)	0.37045 (5)	0.01945 (17)
C42	0.7423 (3)	0.0149 (4)	0.2941 (4)	0.0157 (12)
N43	0.69222 (13)	−0.0467 (4)	0.30792 (17)	0.0180 (7)
C44	0.65899 (13)	−0.1106 (4)	0.25716 (17)	0.0219 (7)
H44	0.6236	−0.1497	0.2684	0.026*
C45	0.67693 (13)	−0.1180 (5)	0.18980 (18)	0.0271 (8)
H45	0.6539	−0.1613	0.1538	0.033*
C46	0.72926 (16)	−0.0620 (5)	0.17386 (19)	0.0265 (8)
H46	0.7423	−0.0700	0.1273	0.032*
C47	0.7618 (3)	0.0052 (4)	0.2263 (4)	0.0214 (14)
H47	0.7974	0.0445	0.2161	0.026*
O48	0.67633 (12)	−0.0393 (3)	0.37434 (17)	0.0203 (6)
O49	0.69056 (8)	0.1936 (3)	0.52554 (13)	0.0271 (5)
H49A	0.7262	0.1920	0.5174	0.041*
H49B	0.6880	0.0728	0.5310	0.041*
O50	0.56110 (8)	0.6934 (3)	0.33598 (13)	0.0257 (5)
H50A	0.5244	0.7115	0.3356	0.039*
H50B	0.5700	0.5839	0.3239	0.039*