x	y	z	Uiso*/Ueq
N1	0.42988 (5)	0.26256 (7)	0.07644 (4)	0.01750 (16)
N2	0.35454 (5)	0.13022 (7)	0.08976 (4)	0.01989 (17)
N3	0.30742 (4)	0.29028 (7)	0.03943 (3)	0.01659 (16)
N4	0.17834 (4)	0.31337 (7)	−0.17076 (3)	0.01554 (16)
C1	0.36450 (5)	0.22714 (8)	0.06888 (4)	0.01603 (18)
C2	0.44809 (6)	0.38008 (9)	0.08200 (4)	0.0197 (2)
H2A	0.4547	0.4054	0.0479	0.030*
H2B	0.4922	0.3913	0.1152	0.030*
H2C	0.4096	0.4222	0.0867	0.030*
C3	0.48710 (6)	0.18814 (10)	0.07763 (5)	0.0245 (2)
H3A	0.5228	0.1835	0.1163	0.037*
H3B	0.5093	0.2166	0.0524	0.037*
H3C	0.4675	0.1145	0.0649	0.037*
C4	0.29137 (6)	0.06255 (9)	0.06026 (5)	0.0242 (2)
H4A	0.2597	0.0651	0.0810	0.036*
H4B	0.3058	−0.0140	0.0582	0.036*
H4C	0.2664	0.0913	0.0219	0.036*
C5	0.40727 (6)	0.08275 (10)	0.14151 (5)	0.0279 (2)
H5A	0.4338	0.0245	0.1315	0.042*
H5B	0.3831	0.0514	0.1647	0.042*
H5C	0.4402	0.1406	0.1630	0.042*
C6	0.24849 (5)	0.30775 (9)	0.05902 (4)	0.01947 (19)
H6A	0.2600	0.2719	0.0963	0.023*
H6B	0.2044	0.2740	0.0318	0.023*
C7	0.23730 (5)	0.43013 (9)	0.06391 (4)	0.0193 (2)
C8	0.17815 (6)	0.48332 (10)	0.02458 (5)	0.0230 (2)
H8	0.1430	0.4416	−0.0041	0.028*
C9	0.17034 (6)	0.59713 (10)	0.02714 (5)	0.0276 (2)
H9	0.1303	0.6329	−0.0001	0.033*
C10	0.22059 (7)	0.65826 (10)	0.06926 (5)	0.0290 (2)
H10	0.2152	0.7360	0.0707	0.035*
C11	0.27903 (6)	0.60616 (10)	0.10949 (5)	0.0269 (2)
H11	0.3133	0.6480	0.1387	0.032*
C12	0.28713 (6)	0.49265 (10)	0.10673 (5)	0.0224 (2)
H12	0.3270	0.4572	0.1343	0.027*
C13	0.30239 (5)	0.34444 (8)	−0.01334 (4)	0.01673 (18)
H13A	0.3456	0.3279	−0.0209	0.020*
H13B	0.2996	0.4254	−0.0093	0.020*
C14	0.23657 (5)	0.30416 (9)	−0.06305 (4)	0.01831 (19)
H14A	0.2318	0.2232	−0.0607	0.022*
H14B	0.1934	0.3393	−0.0616	0.022*
C15	0.24436 (5)	0.33405 (8)	−0.11817 (4)	0.01549 (17)
H15A	0.2571	0.4132	−0.1170	0.019*
H15B	0.2841	0.2908	−0.1210	0.019*
C16	0.14732 (6)	0.20164 (8)	−0.16939 (4)	0.0202 (2)
H16A	0.1087	0.1869	−0.2059	0.030*
H16B	0.1287	0.1997	−0.1393	0.030*
H16C	0.1843	0.1453	−0.1621	0.030*
C17	0.20009 (6)	0.31652 (9)	−0.22064 (4)	0.0203 (2)
H17A	0.2340	0.2569	−0.2172	0.031*
H17B	0.2224	0.3878	−0.2216	0.031*
H17C	0.1581	0.3069	−0.2556	0.031*
C18	0.12001 (5)	0.39863 (8)	−0.17835 (4)	0.01773 (19)
H18A	0.0798	0.3836	−0.2146	0.021*
H18B	0.1024	0.3888	−0.1475	0.021*
C19	0.14251 (5)	0.51683 (8)	−0.17835 (4)	0.01772 (19)
C20	0.14317 (6)	0.56721 (9)	−0.22727 (5)	0.0229 (2)
H20	0.1303	0.5263	−0.2615	0.027*
C21	0.16279 (7)	0.67763 (10)	−0.22577 (5)	0.0292 (3)
H21	0.1642	0.7116	−0.2588	0.035*
C22	0.18025 (7)	0.73815 (9)	−0.17629 (6)	0.0282 (2)
H22	0.1936	0.8135	−0.1756	0.034*
C23	0.17838 (6)	0.68936 (9)	−0.12783 (5)	0.0247 (2)
H23	0.1897	0.7313	−0.0941	0.030*
C24	0.15983 (6)	0.57893 (9)	−0.12892 (5)	0.0203 (2)
H24	0.1589	0.5452	−0.0956	0.024*
B1	0.46620 (6)	0.23547 (9)	0.36054 (4)	0.01377 (19)
C25	0.53180 (5)	0.27524 (8)	0.41906 (4)	0.01506 (17)
C26	0.53687 (5)	0.37636 (8)	0.44722 (4)	0.01841 (19)
H26	0.4994	0.4284	0.4321	0.022*
C27	0.59477 (6)	0.40360 (9)	0.49663 (5)	0.0222 (2)
H27	0.5956	0.4725	0.5147	0.027*
C28	0.65101 (6)	0.33058 (9)	0.51945 (4)	0.0217 (2)
H28	0.6902	0.3484	0.5532	0.026*
C29	0.64893 (6)	0.23066 (9)	0.49194 (4)	0.0208 (2)
H29	0.6874	0.1803	0.5065	0.025*
C30	0.59059 (5)	0.20459 (8)	0.44326 (4)	0.01846 (19)
H30	0.5903	0.1357	0.4254	0.022*
C31	0.43022 (5)	0.12063 (8)	0.37144 (4)	0.01409 (17)
C32	0.43723 (5)	0.08192 (8)	0.42503 (4)	0.01565 (18)
H32	0.4664	0.1220	0.4576	0.019*
C33	0.40298 (5)	−0.01320 (8)	0.43244 (4)	0.01751 (18)
H33	0.4094	−0.0366	0.4696	0.021*
C34	0.35964 (5)	−0.07381 (8)	0.38589 (5)	0.01895 (19)
H34	0.3368	−0.1391	0.3908	0.023*
C35	0.35032 (5)	−0.03701 (9)	0.33182 (5)	0.01950 (19)
H35	0.3204	−0.0767	0.2994	0.023*
C36	0.38493 (5)	0.05798 (8)	0.32539 (4)	0.01735 (18)
H36	0.3776	0.0817	0.2881	0.021*
C37	0.50326 (5)	0.21940 (8)	0.31399 (4)	0.01491 (17)
C38	0.52380 (5)	0.11719 (9)	0.29919 (4)	0.01828 (19)
H38	0.5107	0.0516	0.3131	0.022*
C39	0.56287 (6)	0.10823 (10)	0.26469 (5)	0.0229 (2)
H39	0.5759	0.0374	0.2559	0.027*
C40	0.58261 (6)	0.20214 (10)	0.24331 (5)	0.0250 (2)
H40	0.6096	0.1963	0.2202	0.030*
C41	0.56232 (6)	0.30497 (10)	0.25618 (5)	0.0240 (2)
H41	0.5748	0.3701	0.2414	0.029*
C42	0.52364 (6)	0.31235 (9)	0.29076 (4)	0.01938 (19)
H42	0.5104	0.3835	0.2990	0.023*
C43	0.40014 (5)	0.32412 (8)	0.33856 (4)	0.01539 (17)
C44	0.36416 (5)	0.35274 (9)	0.28117 (4)	0.01945 (19)
H44	0.3797	0.3210	0.2539	0.023*
C45	0.30691 (6)	0.42552 (10)	0.26273 (5)	0.0246 (2)
H45	0.2839	0.4416	0.2235	0.030*
C46	0.28330 (6)	0.47461 (9)	0.30136 (5)	0.0266 (2)
H46	0.2453	0.5263	0.2891	0.032*
C47	0.31613 (6)	0.44687 (9)	0.35821 (5)	0.0249 (2)
H47	0.3003	0.4793	0.3852	0.030*
C48	0.37217 (5)	0.37170 (9)	0.37589 (4)	0.01895 (19)
H48	0.3924	0.3517	0.4148	0.023*
B2	−0.05215 (6)	0.70020 (10)	0.40237 (5)	0.0163 (2)
C49	−0.04678 (5)	0.73498 (8)	0.46616 (4)	0.01608 (18)
C50	−0.01343 (5)	0.83323 (9)	0.49223 (4)	0.01913 (19)
H50	0.0002	0.8850	0.4704	0.023*
C51	0.00054 (6)	0.85813 (9)	0.54879 (4)	0.0213 (2)
H51	0.0240	0.9250	0.5649	0.026*
C52	−0.01996 (6)	0.78472 (9)	0.58155 (4)	0.0218 (2)
H52	−0.0102	0.8005	0.6202	0.026*
C53	−0.05484 (6)	0.68795 (9)	0.55698 (4)	0.0221 (2)
H53	−0.0699	0.6378	0.5787	0.026*
C54	−0.06784 (5)	0.66418 (9)	0.50041 (4)	0.01887 (19)
H54	−0.0918	0.5976	0.4845	0.023*
C55	0.02320 (5)	0.64157 (8)	0.40784 (4)	0.01560 (18)
C56	0.08370 (5)	0.63716 (8)	0.45817 (4)	0.01707 (18)
H56	0.0813	0.6677	0.4916	0.020*
C57	0.14745 (5)	0.58952 (8)	0.46106 (5)	0.0200 (2)
H57	0.1872	0.5881	0.4961	0.024*
C58	0.15304 (6)	0.54410 (8)	0.41296 (5)	0.0205 (2)
H58	0.1965	0.5123	0.4147	0.025*
C59	0.09406 (6)	0.54589 (8)	0.36225 (5)	0.01945 (19)
H59	0.0970	0.5152	0.3290	0.023*
C60	0.03075 (6)	0.59263 (8)	0.36028 (4)	0.01809 (19)
H60	−0.0092	0.5916	0.3254	0.022*
C61	−0.11684 (5)	0.60929 (10)	0.37559 (4)	0.0204 (2)
C62	−0.10414 (6)	0.49566 (10)	0.38699 (5)	0.0259 (2)
H62	−0.0571	0.4723	0.4090	0.031*
C63	−0.15750 (7)	0.41580 (12)	0.36737 (6)	0.0349 (3)
H63	−0.1463	0.3402	0.3764	0.042*
C64	−0.22645 (8)	0.44651 (14)	0.33485 (5)	0.0412 (4)
H64	−0.2630	0.3927	0.3209	0.049*
C65	−0.24121 (7)	0.55746 (15)	0.32296 (5)	0.0392 (4)
H65	−0.2884	0.5798	0.3006	0.047*
C66	−0.18766 (6)	0.63718 (12)	0.34342 (4)	0.0269 (2)
H66	−0.1997	0.7127	0.3352	0.032*
C67	−0.06546 (5)	0.81251 (9)	0.36295 (4)	0.01731 (18)
C68	−0.02646 (5)	0.84143 (9)	0.32986 (4)	0.01829 (19)
H68	0.0094	0.7924	0.3287	0.022*
C69	−0.03839 (6)	0.93941 (9)	0.29857 (4)	0.0212 (2)
H69	−0.0110	0.9552	0.2766	0.025*
C70	−0.08985 (6)	1.01377 (9)	0.29939 (5)	0.0233 (2)
H70	−0.0981	1.0804	0.2782	0.028*
C71	−0.12914 (6)	0.98859 (10)	0.33193 (5)	0.0245 (2)
H71	−0.1644	1.0385	0.3332	0.029*
C72	−0.11691 (6)	0.89051 (10)	0.36257 (4)	0.0223 (2)
H72	−0.1447	0.8754	0.3843	0.027*