x	y	z	Uiso*/Ueq	Occ. (<1)
O1	0.9709 (2)	0.2102 (3)	0.43373 (9)	0.0355 (6)
O2	0.83051 (16)	0.5566 (2)	0.29071 (8)	0.0237 (5)
O3	0.56989 (19)	0.5637 (3)	0.22380 (9)	0.0430 (7)
O4	0.7776 (2)	1.1791 (3)	0.23313 (9)	0.0381 (6)
O5	0.89806 (19)	1.2324 (3)	0.17487 (9)	0.0344 (6)
O6	0.74319 (19)	0.4426 (2)	0.07044 (9)	0.0318 (5)
O7	0.8771 (2)	0.5210 (2)	0.02670 (9)	0.0338 (5)
O8	0.51000 (18)	1.0135 (3)	−0.01957 (8)	0.0303 (5)
O9	0.59367 (17)	0.9543 (2)	−0.10683 (8)	0.0251 (5)
O10	0.79144 (17)	0.8430 (3)	−0.10779 (8)	0.0285 (5)
O11	1.10961 (19)	0.6741 (2)	0.06729 (8)	0.0293 (5)
O12	0.96392 (17)	0.7624 (2)	0.23470 (8)	0.0252 (5)
O13	1.0023 (2)	1.0455 (3)	0.31461 (8)	0.0324 (5)
O14	0.45644 (19)	0.9379 (3)	0.28103 (9)	0.0392 (6)
O15	0.39852 (17)	0.7404 (3)	0.31787 (9)	0.0350 (6)
O16	1.05011 (18)	0.7382 (3)	0.45386 (8)	0.0312 (5)
O17	0.97883 (19)	0.5355 (2)	0.47195 (8)	0.0296 (5)
O18	0.59318 (19)	0.8892 (2)	0.55775 (8)	0.0273 (5)
O19	0.61900 (16)	0.6673 (2)	0.61567 (7)	0.0238 (5)
O20	0.7020 (2)	0.4377 (2)	0.58168 (8)	0.0319 (5)
N1	0.5534 (2)	0.3107 (3)	0.34849 (10)	0.0280 (6)
H1	0.490 (3)	0.275 (4)	0.3584 (14)	0.034*
N2	0.7327 (2)	0.6542 (3)	0.20608 (9)	0.0229 (5)
H2	0.812 (3)	0.671 (4)	0.2177 (13)	0.027*
N3	1.2084 (2)	1.0934 (3)	0.19960 (10)	0.0249 (6)
H3A	1.252 (3)	1.166 (4)	0.2089 (14)	0.030*
N4	0.8928 (2)	0.8590 (3)	0.31837 (9)	0.0212 (5)
H4A	0.865 (3)	0.788 (4)	0.3026 (13)	0.025*
C1	1.0619 (3)	0.2694 (4)	0.41211 (13)	0.0358 (8)
H1A	1.0601	0.2424	0.3767	0.054*
H1B	1.1306	0.2379	0.4304	0.054*
H1C	1.0576	0.3687	0.4144	0.054*
C2	0.8683 (3)	0.2420 (3)	0.41280 (12)	0.0261 (7)
C3	0.7839 (3)	0.1797 (3)	0.43615 (12)	0.0294 (7)
H3	0.8015	0.1254	0.4653	0.035*
C4	0.6750 (3)	0.1962 (3)	0.41739 (12)	0.0292 (7)
H4	0.6173	0.1532	0.4329	0.035*
C5	0.6535 (3)	0.2779 (3)	0.37513 (11)	0.0242 (6)
C6	0.5696 (3)	0.3946 (3)	0.31033 (11)	0.0262 (7)
H6	0.5134	0.4301	0.2869	0.031*
C7	0.6824 (2)	0.4218 (3)	0.31032 (11)	0.0216 (6)
C8	0.7367 (2)	0.3440 (3)	0.35189 (10)	0.0200 (6)
C9	0.8474 (2)	0.3262 (3)	0.37056 (11)	0.0232 (6)
H9	0.9052	0.3693	0.3552	0.028*
C10	0.7340 (2)	0.5197 (3)	0.28133 (10)	0.0202 (6)
C11	0.6682 (2)	0.5823 (3)	0.23466 (11)	0.0252 (7)
C12	0.6859 (2)	0.7245 (3)	0.16045 (11)	0.0238 (6)
H12	0.6060	0.7400	0.1634	0.029*
C13	0.6968 (2)	0.6420 (3)	0.11236 (11)	0.0227 (6)
H13	0.6432	0.6794	0.0851	0.027*
C14	0.6835 (3)	0.4872 (4)	0.11279 (13)	0.0305 (7)
H14A	0.7163	0.4479	0.1450	0.037*
H14B	0.6051	0.4610	0.1075	0.037*
C15	0.8175 (3)	0.5382 (3)	0.05986 (12)	0.0268 (7)
C16	0.8111 (2)	0.6562 (3)	0.09543 (10)	0.0211 (6)
H16	0.8642	0.6368	0.1255	0.025*
C17	0.8347 (2)	0.8009 (3)	0.07850 (10)	0.0195 (6)
H17	0.9144	0.8065	0.0732	0.023*
C18	0.8143 (2)	0.8956 (3)	0.12187 (11)	0.0209 (6)
C19	0.8700 (2)	1.0211 (3)	0.12473 (11)	0.0236 (6)
H19	0.9181	1.0461	0.1004	0.028*
C20	0.8522 (2)	1.1066 (3)	0.16423 (12)	0.0254 (6)
C21	0.8708 (3)	1.2608 (4)	0.22494 (13)	0.0362 (8)
H21A	0.9334	1.2381	0.2499	0.043*
H21B	0.8531	1.3584	0.2284	0.043*
C22	0.7809 (3)	1.0735 (3)	0.19899 (12)	0.0278 (7)
C23	0.7237 (2)	0.9546 (4)	0.19687 (11)	0.0260 (7)
H23	0.6733	0.9344	0.2208	0.031*
C24	0.7416 (2)	0.8628 (3)	0.15812 (10)	0.0222 (6)
C25	0.7684 (2)	0.8429 (3)	0.02942 (10)	0.0196 (6)
C26	0.6673 (2)	0.9084 (3)	0.02973 (11)	0.0225 (6)
H26	0.6383	0.9271	0.0608	0.027*
C27	0.6086 (2)	0.9465 (3)	−0.01582 (11)	0.0225 (6)
C28	0.6521 (2)	0.9191 (3)	−0.06129 (11)	0.0233 (6)
C29	0.7545 (2)	0.8577 (3)	−0.06123 (11)	0.0213 (6)
C30	0.8123 (2)	0.8184 (3)	−0.01594 (11)	0.0226 (6)
H30	0.8816	0.7748	−0.0160	0.027*
C31	0.4672 (3)	1.0519 (5)	0.02636 (14)	0.0418 (9)
H31A	0.4544	0.9702	0.0460	0.063*
H31B	0.3978	1.1008	0.0187	0.063*
H31C	0.5202	1.1109	0.0459	0.063*
C32	0.6137 (3)	1.0929 (4)	−0.12153 (14)	0.0344 (8)
H32A	0.5877	1.1554	−0.0967	0.052*
H32B	0.5744	1.1109	−0.1547	0.052*
H32C	0.6927	1.1063	−0.1232	0.052*
C33	0.9057 (3)	0.8143 (5)	−0.10879 (13)	0.0363 (8)
H33A	0.9491	0.8824	−0.0888	0.054*
H33B	0.9245	0.8170	−0.1437	0.054*
H33C	0.9218	0.7237	−0.0946	0.054*
C34	1.1325 (3)	0.6781 (4)	0.01564 (12)	0.0318 (7)
H34A	1.1113	0.7670	0.0012	0.048*
H34B	1.0906	0.6066	−0.0032	0.048*
H34C	1.2112	0.6634	0.0136	0.048*
C35	1.1422 (2)	0.7832 (3)	0.09760 (11)	0.0228 (6)
C36	1.2157 (2)	0.8833 (3)	0.08386 (12)	0.0256 (6)
H36	1.2449	0.8779	0.0522	0.031*
C37	1.2456 (3)	0.9898 (3)	0.11633 (12)	0.0268 (7)
H37	1.2959	1.0575	0.1076	0.032*
C38	1.1995 (2)	0.9946 (3)	0.16239 (11)	0.0235 (6)
C39	1.1422 (2)	1.0624 (3)	0.23537 (11)	0.0220 (6)
H39	1.1337	1.1159	0.2644	0.026*
C40	1.0877 (2)	0.9400 (3)	0.22359 (11)	0.0208 (6)
C41	1.1253 (2)	0.8955 (3)	0.17615 (11)	0.0196 (6)
C42	1.0986 (2)	0.7857 (3)	0.14365 (11)	0.0214 (6)
H42	1.0517	0.7148	0.1530	0.026*
C43	1.0061 (2)	0.8723 (3)	0.24936 (10)	0.0206 (6)
C44	0.9674 (2)	0.9361 (3)	0.29783 (10)	0.0216 (6)
C45	0.8387 (2)	0.9029 (3)	0.36257 (10)	0.0218 (6)
H45	0.8402	1.0044	0.3644	0.026*
C46	0.8942 (2)	0.8449 (3)	0.41195 (11)	0.0221 (6)
H46	0.8586	0.8860	0.4406	0.027*
C47	1.0178 (3)	0.8571 (4)	0.42313 (12)	0.0289 (7)
H47A	1.0542	0.8567	0.3916	0.035*
H47B	1.0375	0.9420	0.4418	0.035*
C48	0.9684 (3)	0.6421 (3)	0.45032 (11)	0.0254 (7)
C49	0.8766 (2)	0.6920 (3)	0.41273 (11)	0.0216 (6)
H49	0.8944	0.6581	0.3791	0.026*
C50	0.7568 (2)	0.6525 (3)	0.41697 (10)	0.0210 (6)
H50	0.7486	0.5558	0.4057	0.025*
C51	0.6837 (2)	0.7376 (3)	0.37934 (10)	0.0208 (6)
C52	0.5740 (2)	0.6926 (3)	0.36810 (11)	0.0235 (6)
H52	0.5484	0.6129	0.3834	0.028*
C53	0.5061 (2)	0.7661 (3)	0.33488 (12)	0.0257 (7)
C54	0.3728 (4)	0.8367 (6)	0.2790 (2)	0.0734 (17)
H54A	0.3010	0.8796	0.2832	0.088*
H54B	0.3673	0.7906	0.2458	0.088*
C55	0.5417 (3)	0.8846 (4)	0.31276 (12)	0.0284 (7)
C56	0.6461 (2)	0.9325 (3)	0.32251 (11)	0.0247 (6)
H56	0.6691	1.0140	0.3076	0.030*
C57	0.7191 (2)	0.8550 (3)	0.35611 (10)	0.0203 (6)
C58	0.7206 (2)	0.6588 (3)	0.47014 (11)	0.0202 (6)
C59	0.6749 (2)	0.7768 (3)	0.48856 (11)	0.0216 (6)
H59	0.6664	0.8554	0.4679	0.026*
C60	0.6418 (2)	0.7796 (3)	0.53700 (11)	0.0197 (6)
C61	0.6544 (2)	0.6648 (3)	0.56788 (11)	0.0207 (6)
C62	0.6964 (2)	0.5457 (3)	0.54896 (11)	0.0212 (6)
C63	0.7300 (2)	0.5425 (3)	0.50054 (11)	0.0235 (6)
H63	0.7595	0.4612	0.4881	0.028*
C64	0.5741 (3)	1.0045 (3)	0.52584 (13)	0.0303 (7)
H64A	0.6446	1.0426	0.5182	0.045*
H64B	0.5331	1.0732	0.5429	0.045*
H64C	0.5315	0.9770	0.4945	0.045*
C65	0.7057 (3)	0.6693 (6)	0.65580 (12)	0.0495 (12)
H65A	0.7580	0.5963	0.6508	0.074*
H65B	0.6748	0.6559	0.6880	0.074*
H65C	0.7435	0.7572	0.6561	0.074*
C66	0.6889 (3)	0.3055 (3)	0.55972 (13)	0.0300 (7)
H66A	0.6229	0.3040	0.5358	0.045*
H66B	0.6816	0.2382	0.5863	0.045*
H66C	0.7534	0.2837	0.5421	0.045*
O21	0.3925 (2)	0.2634 (4)	0.18772 (15)	0.0800 (13)
H21	0.3869	0.3251	0.1659	0.120*
C67	0.4991 (4)	0.2072 (5)	0.19056 (18)	0.0584 (13)
H67A	0.5536	0.2796	0.1974	0.088*
H67B	0.5103	0.1631	0.1585	0.088*
H67C	0.5075	0.1399	0.2178	0.088*
O22	0.1884 (6)	0.3747 (4)	0.24506 (19)	0.0478 (17)	0.522 (5)
H22	0.1301	0.3932	0.2579	0.072*	0.522 (5)
C68	0.2343 (10)	0.4948 (7)	0.2278 (3)	0.065 (3)	0.522 (5)
H68A	0.1854	0.5715	0.2328	0.097*	0.522 (5)
H68B	0.2437	0.4859	0.1919	0.097*	0.522 (5)
H68C	0.3060	0.5108	0.2467	0.097*	0.522 (5)
O23	0.0596 (3)	0.4971 (5)	0.3106 (2)	0.0326 (13)	0.478 (5)
H23A	0.0792	0.4853	0.2816	0.049*	0.478 (5)
C69	0.1315 (5)	0.5923 (8)	0.3374 (3)	0.0304 (16)	0.478 (5)
H69A	0.1370	0.6743	0.3169	0.046*	0.478 (5)
H69B	0.2045	0.5516	0.3444	0.046*	0.478 (5)
H69C	0.1024	0.6164	0.3691	0.046*	0.478 (5)