x	y	z	Uiso*/Ueq
C1	−0.0022 (4)	0.6545 (2)	0.4229 (2)	0.0400 (9)
H1A	0.1078	0.6666	0.4506	0.060*
H1B	−0.0576	0.6544	0.4679	0.060*
H1C	−0.0232	0.7043	0.3862	0.060*
C2	−0.0538 (4)	0.5599 (2)	0.3681 (2)	0.0304 (8)
C3	−0.1584 (4)	0.4860 (2)	0.3901 (2)	0.0310 (8)
H3	−0.1940	0.4960	0.4401	0.037*
C4	−0.2084 (4)	0.4000 (2)	0.3396 (2)	0.0279 (8)
C5	−0.3193 (4)	0.3201 (2)	0.3621 (2)	0.0379 (9)
H5A	−0.3539	0.3432	0.4110	0.057*
H5B	−0.2685	0.2685	0.3784	0.057*
H5C	−0.4075	0.2967	0.3116	0.057*
C6	−0.1513 (4)	0.3876 (2)	0.2658 (2)	0.0248 (7)
C10	−0.0435 (4)	0.4647 (2)	0.2495 (2)	0.0239 (7)
C8	−0.1281 (4)	0.2975 (2)	0.1409 (2)	0.0278 (8)
H8	−0.1547	0.2411	0.1015	0.033*
C9	−0.0201 (4)	0.3773 (2)	0.1314 (2)	0.0255 (7)
C11	0.0958 (4)	0.2935 (2)	−0.0507 (2)	0.0273 (8)
C7	−0.1935 (4)	0.3032 (2)	0.2082 (2)	0.0286 (8)
H7	−0.2669	0.2506	0.2161	0.034*
C12	0.0664 (4)	0.2038 (2)	−0.0984 (2)	0.0307 (8)
H12	0.0038	0.1500	−0.0839	0.037*
C13	0.1303 (4)	0.1963 (2)	−0.1658 (2)	0.0299 (8)
H13	0.1102	0.1369	−0.2003	0.036*
C14	0.2263 (4)	0.2763 (2)	−0.1846 (2)	0.0247 (7)
C15	0.3010 (4)	0.2757 (2)	−0.2525 (2)	0.0289 (8)
C16	0.2785 (4)	0.1871 (2)	−0.3127 (2)	0.0381 (9)
H16A	0.3433	0.1997	−0.3527	0.057*
H16B	0.1710	0.1673	−0.3462	0.057*
H16C	0.3064	0.1366	−0.2786	0.057*
C17	0.3947 (4)	0.3599 (2)	−0.2600 (2)	0.0314 (8)
H17	0.4472	0.3623	−0.3042	0.038*
C18	0.4143 (4)	0.4434 (2)	−0.2028 (2)	0.0306 (8)
C19	0.5224 (4)	0.5332 (2)	−0.2113 (2)	0.0397 (9)
H19A	0.4934	0.5881	−0.1868	0.059*
H19B	0.5171	0.5377	−0.2728	0.059*
H19C	0.6270	0.5321	−0.1797	0.059*
C20	0.2503 (4)	0.3635 (2)	−0.1314 (2)	0.0258 (8)
C21	0.2972 (4)	0.6386 (2)	0.0729 (2)	0.0253 (8)
C22	0.3877 (4)	0.7207 (2)	0.0572 (2)	0.0291 (8)
H22	0.4334	0.7199	0.0102	0.035*
C23	0.4104 (4)	0.8035 (2)	0.1107 (2)	0.0311 (8)
H23	0.4703	0.8602	0.0990	0.037*
C24	0.3484 (4)	0.8065 (2)	0.1808 (2)	0.0294 (8)
H24	0.3652	0.8644	0.2168	0.035*
C25	0.2613 (4)	0.7237 (2)	0.1979 (2)	0.0264 (8)
C26	0.1943 (4)	0.2941 (2)	0.3487 (2)	0.0311 (8)
H26	0.1188	0.2950	0.2965	0.037*
C27	0.2582 (4)	0.3782 (3)	0.4048 (2)	0.0392 (9)
H27	0.2258	0.4346	0.3906	0.047*
C28	0.3695 (4)	0.3794 (3)	0.4815 (2)	0.0345 (9)
H28	0.4139	0.4363	0.5202	0.041*
C29	0.4139 (4)	0.2964 (2)	0.5004 (2)	0.0326 (8)
H29	0.4901	0.2962	0.5525	0.039*
C30	0.3483 (4)	0.2130 (2)	0.4441 (2)	0.0265 (8)
H30	0.3806	0.1569	0.4594	0.032*
C31	0.2364 (3)	0.2082 (2)	0.3658 (2)	0.0231 (7)
C32	0.2986 (4)	0.2010 (2)	0.1835 (2)	0.0270 (8)
H32	0.3137	0.2593	0.2186	0.032*
C33	0.3457 (4)	0.2021 (3)	0.1072 (2)	0.0349 (9)
H33	0.3930	0.2606	0.0915	0.042*
C34	0.3244 (4)	0.1191 (3)	0.0541 (2)	0.0349 (9)
H34	0.3558	0.1200	0.0018	0.042*
C35	0.2568 (4)	0.0346 (2)	0.0780 (2)	0.0302 (8)
H35	0.2408	−0.0232	0.0420	0.036*
C36	0.2124 (4)	0.0343 (2)	0.1546 (2)	0.0255 (7)
H36	0.1677	−0.0248	0.1703	0.031*
C37	0.2299 (3)	0.1169 (2)	0.21029 (19)	0.0212 (7)
C38	−0.1165 (3)	0.0656 (2)	0.1803 (2)	0.0228 (7)
H38	−0.0681	0.0573	0.1354	0.027*
C39	−0.2754 (4)	0.0488 (2)	0.1590 (2)	0.0251 (7)
H39	−0.3325	0.0313	0.0999	0.030*
C40	−0.3512 (4)	0.0574 (2)	0.2226 (2)	0.0265 (8)
H40	−0.4597	0.0445	0.2081	0.032*
C41	−0.2647 (4)	0.0852 (2)	0.3080 (2)	0.0263 (7)
H41	−0.3143	0.0911	0.3529	0.032*
C42	−0.1064 (4)	0.1046 (2)	0.3282 (2)	0.0250 (7)
H42	−0.0502	0.1257	0.3870	0.030*
C43	−0.0252 (3)	0.0944 (2)	0.2663 (2)	0.0217 (7)
C44	0.1203 (4)	−0.0330 (2)	0.3938 (2)	0.0255 (7)
H44	0.0220	−0.0220	0.3918	0.031*
C45	0.1699 (4)	−0.1019 (2)	0.4433 (2)	0.0311 (8)
H45	0.1057	−0.1365	0.4741	0.037*
C46	0.3121 (4)	−0.1201 (2)	0.4477 (2)	0.0294 (8)
H46	0.3461	−0.1672	0.4811	0.035*
C47	0.4040 (4)	−0.0684 (2)	0.4026 (2)	0.0270 (8)
H47	0.5025	−0.0793	0.4053	0.032*
C48	0.3519 (4)	−0.0005 (2)	0.3533 (2)	0.0236 (7)
H48	0.4165	0.0334	0.3222	0.028*
C49	0.2092 (3)	0.0205 (2)	0.34715 (19)	0.0213 (7)
B1	0.1629 (4)	0.1103 (3)	0.2967 (2)	0.0220 (8)
N1	0.0032 (3)	0.55059 (18)	0.30024 (17)	0.0270 (6)
N2	0.0221 (3)	0.45896 (18)	0.18203 (17)	0.0258 (6)
N3	0.0568 (3)	0.37649 (19)	0.06346 (17)	0.0267 (6)
N4	0.0220 (3)	0.2969 (2)	0.01827 (18)	0.0293 (7)
N5	0.1833 (3)	0.37119 (18)	−0.06553 (17)	0.0281 (7)
N6	0.3438 (3)	0.44677 (18)	−0.14110 (18)	0.0289 (7)
N7	0.2625 (3)	0.55485 (19)	0.02383 (17)	0.0307 (7)
H7A	0.2029	0.5055	0.0369	0.037*
H7B	0.2993	0.5491	−0.0215	0.037*
N8	0.2360 (3)	0.64251 (18)	0.14261 (16)	0.0253 (6)
H8A	0.1778	0.5904	0.1523	0.030*
N9	0.1999 (4)	0.7172 (2)	0.26545 (18)	0.0381 (8)
H9A	0.1460	0.6624	0.2729	0.046*
H9B	0.2135	0.7677	0.3025	0.046*