x	y	z	Uiso*/Ueq
N11	0.34622 (12)	0.18907 (13)	0.37745 (11)	0.0623 (4)
H111	0.2917 (16)	0.2421 (16)	0.4214 (12)	0.075*
H112	0.3338 (15)	0.1085 (16)	0.3969 (11)	0.075*
C12	0.47834 (15)	0.19077 (16)	0.38284 (12)	0.0642 (4)
H12A	0.4969	0.1564	0.4493	0.077*
H12B	0.4870	0.2768	0.3702	0.077*
C13	0.57059 (14)	0.11410 (15)	0.30673 (11)	0.0570 (4)
H13A	0.6560	0.1195	0.3080	0.068*
H13B	0.5675	0.0265	0.3231	0.068*
N14	0.53919 (10)	0.16040 (11)	0.20732 (8)	0.0467 (3)
C15	0.41371 (12)	0.14755 (14)	0.20256 (12)	0.0562 (4)
H15A	0.4102	0.0602	0.2201	0.067*
H15B	0.3954	0.1744	0.1352	0.067*
C16	0.31747 (14)	0.22734 (15)	0.27418 (13)	0.0616 (4)
H16A	0.3182	0.3151	0.2542	0.074*
H16B	0.2335	0.2182	0.2724	0.074*
C121	0.63719 (12)	0.12322 (13)	0.12699 (10)	0.0455 (3)
C122	0.74375 (13)	0.17360 (14)	0.10986 (11)	0.0516 (4)
C123	0.83917 (14)	0.14329 (16)	0.02954 (12)	0.0636 (4)
H123	0.9099	0.1764	0.0188	0.076*
C124	0.83016 (15)	0.06460 (16)	−0.03458 (12)	0.0669 (5)
H124	0.8946	0.0451	−0.0884	0.080*
C125	0.72766 (15)	0.01536 (16)	−0.01957 (12)	0.0654 (4)
H125	0.7218	−0.0375	−0.0632	0.078*
C126	0.63143 (14)	0.04385 (14)	0.06097 (11)	0.0576 (4)
H126	0.5618	0.0092	0.0709	0.069*
O122	0.74475 (10)	0.25199 (11)	0.17621 (8)	0.0716 (3)
C127	0.84336 (17)	0.31480 (17)	0.15906 (15)	0.0774 (5)
H17A	0.8314	0.3660	0.2115	0.116*
H17B	0.9234	0.2540	0.1580	0.116*
H17C	0.8424	0.3671	0.0960	0.116*
N21	0.32610 (11)	0.68791 (12)	0.35465 (9)	0.0506 (3)
H211	0.2716 (14)	0.7345 (14)	0.4078 (11)	0.061*
H212	0.3068 (13)	0.6135 (14)	0.3614 (11)	0.061*
C22	0.45843 (14)	0.66671 (15)	0.37162 (11)	0.0559 (4)
H22A	0.4692	0.6135	0.4343	0.067*
H22B	0.4753	0.7466	0.3763	0.067*
C23	0.55121 (13)	0.60521 (13)	0.28769 (10)	0.0510 (4)
H23A	0.6371	0.5971	0.2979	0.061*
H23B	0.5404	0.5216	0.2872	0.061*
N24	0.53089 (10)	0.68033 (10)	0.19212 (8)	0.0443 (3)
C25	0.40353 (12)	0.68965 (15)	0.17454 (11)	0.0548 (4)
H25A	0.3914	0.6062	0.1757	0.066*
H25B	0.3920	0.7357	0.1094	0.066*
C26	0.30813 (13)	0.75658 (14)	0.25435 (11)	0.0549 (4)
H26A	0.3179	0.8414	0.2509	0.066*
H26B	0.2231	0.7622	0.2434	0.066*
C221	0.63168 (12)	0.64911 (13)	0.11180 (10)	0.0454 (3)
C222	0.74589 (13)	0.68107 (14)	0.11058 (11)	0.0505 (4)
C223	0.84489 (15)	0.65473 (16)	0.03183 (13)	0.0660 (5)
H223	0.9205	0.6760	0.0311	0.079*
C224	0.83202 (17)	0.59725 (17)	−0.04533 (13)	0.0722 (5)
H224	0.8991	0.5797	−0.0977	0.087*
C225	0.72259 (17)	0.56616 (17)	−0.04537 (12)	0.0735 (5)
H225	0.7143	0.5275	−0.0977	0.088*
C226	0.62268 (16)	0.59194 (16)	0.03260 (11)	0.0641 (4)
H226	0.5477	0.5703	0.0317	0.077*
O222	0.75012 (10)	0.73834 (11)	0.18954 (8)	0.0683 (3)
C227	0.85515 (17)	0.78893 (18)	0.18703 (14)	0.0806 (6)
H27A	0.8449	0.8259	0.2473	0.121*
H27B	0.9316	0.7230	0.1816	0.121*
H27C	0.8601	0.8521	0.1305	0.121*
C31	0.21393 (13)	0.42548 (13)	0.52990 (11)	0.0491 (3)
O31	0.31437 (10)	0.44663 (10)	0.48375 (9)	0.0721 (3)
O32	0.17455 (10)	0.33051 (9)	0.52076 (8)	0.0630 (3)
C32	0.13422 (14)	0.51635 (13)	0.59942 (11)	0.0527 (4)
H32	0.1710	0.5799	0.6060	0.063*
C33	0.01974 (14)	0.52237 (13)	0.65358 (11)	0.0515 (4)
H331	−0.0094	0.5890	0.6919	0.062*
C34	−0.06961 (14)	0.44152 (13)	0.66358 (11)	0.0493 (4)
O33	−0.03904 (10)	0.34388 (9)	0.61545 (8)	0.0587 (3)
H33	0.0541 (18)	0.3376 (15)	0.5724 (13)	0.088*
O34	−0.17286 (11)	0.46868 (11)	0.71631 (9)	0.0830 (4)
C41	0.21753 (13)	0.92641 (13)	0.50681 (10)	0.0472 (3)
O41	0.31284 (10)	0.95022 (9)	0.45083 (8)	0.0676 (3)
O42	0.18296 (10)	0.82652 (9)	0.50841 (8)	0.0661 (3)
C42	0.14234 (14)	1.02060 (13)	0.57458 (11)	0.0554 (4)
H42	0.1724	1.0926	0.5676	0.067*
C43	0.03981 (13)	1.01999 (13)	0.64339 (11)	0.0536 (4)
H431	0.0104	1.0921	0.6756	0.064*
C44	−0.03624 (14)	0.92597 (13)	0.67828 (11)	0.0525 (4)
O43	−0.01234 (11)	0.82687 (10)	0.63191 (9)	0.0756 (4)
H43	0.066 (2)	0.8219 (18)	0.5806 (15)	0.113*
O44	−0.12061 (12)	0.94251 (11)	0.74866 (9)	0.0869 (4)