x	y	z	Uiso*/Ueq
O1	0.24853 (14)	0.02581 (13)	0.23910 (8)	0.0551 (3)
O2	−0.02994 (14)	0.37492 (14)	0.24879 (8)	0.0560 (4)
N1	0.25681 (16)	0.14200 (13)	0.10087 (8)	0.0460 (3)
N2	−0.01847 (16)	0.32660 (14)	0.10401 (8)	0.0459 (3)
C1	0.38900 (17)	0.00930 (15)	0.24923 (10)	0.0407 (4)
C2	0.45915 (18)	−0.04982 (14)	0.32187 (10)	0.0413 (4)
C3	0.60129 (18)	−0.06050 (15)	0.32878 (10)	0.0449 (4)
H3A	0.6489	−0.0987	0.3765	0.054*
C4	0.67862 (18)	−0.01843 (15)	0.26978 (11)	0.0451 (4)
C5	0.60684 (19)	0.03771 (16)	0.19953 (11)	0.0460 (4)
H5A	0.6550	0.0666	0.1586	0.055*
C6	0.46270 (18)	0.05235 (15)	0.18822 (10)	0.0421 (4)
C7	0.3908 (2)	0.11843 (16)	0.11444 (10)	0.0449 (4)
H7A	0.4441	0.1448	0.0753	0.054*
C8	0.19331 (19)	0.21018 (16)	0.02816 (9)	0.0447 (4)
C9	0.2644 (2)	0.1850 (2)	−0.04413 (11)	0.0614 (5)
H9A	0.3569	0.1211	−0.0455	0.074*
C10	0.1993 (3)	0.2537 (2)	−0.11419 (11)	0.0704 (6)
H10A	0.2480	0.2363	−0.1623	0.084*
C11	0.0627 (3)	0.3476 (2)	−0.11230 (11)	0.0668 (6)
H11A	0.0196	0.3952	−0.1592	0.080*
C12	−0.0113 (2)	0.37196 (19)	−0.04127 (11)	0.0575 (5)
H12A	−0.1044	0.4354	−0.0406	0.069*
C13	0.05201 (19)	0.30244 (16)	0.02944 (9)	0.0438 (4)
C14	−0.1540 (2)	0.34565 (17)	0.11173 (10)	0.0489 (4)
H14A	−0.2026	0.3410	0.0683	0.059*
C15	−0.23510 (19)	0.37409 (16)	0.18511 (10)	0.0449 (4)
C16	−0.38016 (19)	0.38473 (17)	0.18917 (11)	0.0489 (4)
H16A	−0.4213	0.3742	0.1448	0.059*
C17	−0.46321 (18)	0.41034 (15)	0.25708 (11)	0.0445 (4)
C18	−0.39582 (18)	0.42637 (15)	0.32176 (10)	0.0439 (4)
H18A	−0.4512	0.4449	0.3679	0.053*
C19	−0.25311 (18)	0.41677 (15)	0.32213 (10)	0.0417 (4)
C20	−0.17137 (18)	0.38860 (16)	0.25182 (10)	0.0424 (4)
C21	0.8335 (2)	−0.03120 (18)	0.28575 (13)	0.0549 (5)
C22	0.9056 (3)	0.0030 (4)	0.20973 (19)	0.1070 (11)
H22A	0.9107	−0.0499	0.1711	0.160*
H22B	1.0028	−0.0068	0.2212	0.160*
H22C	0.8485	0.0870	0.1892	0.160*
C23	0.9286 (3)	−0.1632 (3)	0.3171 (3)	0.1184 (13)
H23A	0.8956	−0.1825	0.3693	0.178*
H23B	1.0287	−0.1732	0.3194	0.178*
H23C	0.9218	−0.2174	0.2826	0.178*
C24	0.8236 (3)	0.0569 (3)	0.3431 (2)	0.0993 (10)
H24A	0.7817	0.0362	0.3923	0.149*
H24B	0.7628	0.1394	0.3212	0.149*
H24C	0.9199	0.0513	0.3524	0.149*
C25	−0.62039 (19)	0.41811 (17)	0.26502 (12)	0.0504 (4)
C26	−0.6241 (3)	0.3137 (2)	0.32638 (16)	0.0759 (7)
H26A	−0.5579	0.2361	0.3104	0.114*
H26B	−0.7218	0.3169	0.3304	0.114*
H26C	−0.5950	0.3226	0.3770	0.114*
C27	−0.6760 (2)	0.4069 (2)	0.18631 (15)	0.0714 (6)
H27A	−0.6773	0.4737	0.1477	0.107*
H27B	−0.7733	0.4100	0.1935	0.107*
H27C	−0.6122	0.3301	0.1683	0.107*
C28	−0.7245 (2)	0.5417 (2)	0.29181 (15)	0.0668 (6)
H28A	−0.7242	0.6076	0.2529	0.100*
H28B	−0.6925	0.5502	0.3417	0.100*
H28C	−0.8220	0.5447	0.2975	0.100*
C29	−0.1868 (2)	0.43580 (17)	0.39531 (10)	0.0487 (4)
C30	−0.1413 (3)	0.5437 (2)	0.37445 (14)	0.0736 (6)
H30A	−0.2253	0.6167	0.3564	0.110*
H30B	−0.0679	0.5251	0.3333	0.110*
H30C	−0.1022	0.5571	0.4206	0.110*
C31	−0.0546 (3)	0.3177 (2)	0.42414 (13)	0.0756 (7)
H31A	0.0179	0.2971	0.3827	0.113*
H31B	−0.0856	0.2516	0.4381	0.113*
H31C	−0.0133	0.3304	0.4697	0.113*
C32	−0.2966 (2)	0.4672 (2)	0.46406 (11)	0.0639 (5)
H32A	−0.3809	0.5410	0.4477	0.096*
H32B	−0.2516	0.4797	0.5082	0.096*
H32C	−0.3263	0.4007	0.4794	0.096*
C33	0.3806 (2)	−0.09823 (17)	0.38899 (10)	0.0485 (4)
C34	0.2432 (2)	0.0077 (2)	0.41472 (13)	0.0718 (6)
H34A	0.2702	0.0686	0.4316	0.108*
H34B	0.1960	−0.0233	0.4578	0.108*
H34C	0.1770	0.0441	0.3709	0.108*
C35	0.3409 (3)	−0.1970 (2)	0.36056 (14)	0.0717 (6)
H35A	0.2795	−0.1620	0.3148	0.108*
H35B	0.2896	−0.2264	0.4021	0.108*
H35C	0.4290	−0.2643	0.3470	0.108*
C36	0.4771 (2)	−0.15914 (19)	0.46241 (11)	0.0597 (5)
H36A	0.5021	−0.0995	0.4828	0.090*
H36B	0.5651	−0.2258	0.4481	0.090*
H36C	0.4245	−0.1902	0.5023	0.090*
O3	0.6258 (5)	0.2364 (5)	0.0147 (2)	0.227 (2)
C37	0.8191 (10)	0.1323 (9)	−0.0542 (7)	0.345 (8)
H37A	0.8795	0.1561	−0.0245	0.517*
H37B	0.8476	0.1354	−0.1090	0.517*
H37C	0.8309	0.0501	−0.0342	0.517*
C38	0.6661 (8)	0.2165 (6)	−0.0462 (2)	0.176 (3)
C39	0.5935 (11)	0.2473 (7)	−0.1217 (3)	0.266 (5)
H39A	0.5220	0.3310	−0.1262	0.399*
H39B	0.5456	0.1933	−0.1254	0.399*
H39C	0.6646	0.2381	−0.1637	0.399*
H1O1	0.221 (3)	0.072 (2)	0.1925 (15)	0.083 (8)*
H1O2	0.001 (3)	0.353 (2)	0.2023 (16)	0.084 (8)*