x	y	z	Uiso*/Ueq
S1A	0.08455 (7)	0.69136 (4)	0.16534 (3)	0.05868 (16)
F1A	−0.31446 (17)	0.78739 (11)	0.47019 (10)	0.0905 (5)
N1A	−0.10366 (15)	0.16736 (12)	0.33308 (8)	0.0362 (3)
N2A	0.09099 (16)	0.39301 (12)	0.11449 (8)	0.0380 (3)
N3A	0.12047 (15)	0.48279 (12)	0.07369 (8)	0.0365 (3)
N4A	0.18107 (18)	0.64187 (14)	0.03380 (9)	0.0465 (4)
H4AB	0.204 (2)	0.719 (2)	0.0296 (13)	0.073 (7)*
N5A	0.20935 (18)	0.55200 (14)	−0.01880 (9)	0.0480 (4)
C1A	−0.13898 (18)	0.14893 (14)	0.40148 (9)	0.0362 (4)
C2A	−0.1351 (2)	0.05110 (16)	0.43631 (10)	0.0456 (4)
H2AA	−0.1068	−0.0177	0.4130	0.055*
C3A	−0.1746 (2)	0.05986 (18)	0.50619 (11)	0.0523 (5)
H3AA	−0.1719	−0.0042	0.5304	0.063*
C4A	−0.2188 (2)	0.16190 (18)	0.54209 (11)	0.0514 (5)
H4AA	−0.2443	0.1647	0.5895	0.062*
C5A	−0.22476 (19)	0.25805 (16)	0.50808 (10)	0.0437 (4)
H5AA	−0.2552	0.3256	0.5317	0.052*
C6A	−0.18407 (17)	0.25233 (14)	0.43690 (9)	0.0347 (3)
C7A	−0.17501 (16)	0.33564 (14)	0.38866 (9)	0.0332 (3)
C8A	−0.12480 (17)	0.28220 (14)	0.32566 (9)	0.0327 (3)
C9A	−0.09289 (17)	0.34389 (14)	0.26649 (9)	0.0353 (3)
H9AA	−0.1367	0.4096	0.2654	0.042*
C10A	−0.01208 (18)	0.32505 (14)	0.21247 (9)	0.0370 (4)
H10A	0.0286	0.2569	0.2059	0.044*
C11A	0.01137 (18)	0.40985 (14)	0.16505 (9)	0.0362 (4)
H11A	−0.0310	0.4771	0.1708	0.043*
C12A	0.12757 (19)	0.60532 (15)	0.09206 (10)	0.0389 (4)
C13A	0.17236 (19)	0.45754 (16)	0.00762 (10)	0.0423 (4)
H13A	0.1800	0.3809	−0.0155	0.051*
C14A	−0.07844 (19)	0.07247 (14)	0.27346 (10)	0.0394 (4)
H14A	−0.0741	0.1071	0.2287	0.047*
C15A	0.0590 (2)	0.0347 (2)	0.28984 (13)	0.0601 (6)
H15A	0.0701	−0.0299	0.2517	0.090*
H15B	0.0631	0.0092	0.3367	0.090*
H15C	0.1309	0.1009	0.2916	0.090*
C16A	−0.1958 (2)	−0.03206 (18)	0.25663 (12)	0.0545 (5)
H16A	−0.1871	−0.0821	0.2106	0.082*
H16B	−0.2813	−0.0028	0.2531	0.082*
H16C	−0.1931	−0.0774	0.2956	0.082*
C17A	−0.21013 (17)	0.45672 (14)	0.40646 (9)	0.0349 (3)
C18A	−0.34346 (19)	0.47005 (16)	0.41822 (11)	0.0434 (4)
H18A	−0.4101	0.4025	0.4124	0.052*
C19A	−0.3798 (2)	0.58122 (18)	0.43839 (12)	0.0517 (5)
H19A	−0.4699	0.5893	0.4453	0.062*
C20A	−0.2803 (2)	0.67830 (17)	0.44782 (12)	0.0550 (5)
C21A	−0.1487 (2)	0.67053 (18)	0.43688 (15)	0.0667 (6)
H21A	−0.0829	0.7389	0.4434	0.080*
C22A	−0.1138 (2)	0.55868 (17)	0.41574 (13)	0.0550 (5)
H22A	−0.0238	0.5523	0.4077	0.066*
S1B	0.68905 (7)	0.83235 (5)	0.03129 (3)	0.06422 (17)
F1B	0.46558 (19)	0.78643 (12)	0.34049 (10)	0.0933 (5)
N1B	0.49537 (16)	1.38803 (13)	0.20432 (8)	0.0401 (3)
N2B	0.75225 (17)	1.11714 (12)	−0.00035 (8)	0.0452 (4)
N3B	0.81061 (17)	1.01944 (12)	−0.03051 (8)	0.0432 (4)
N4B	0.8607 (2)	0.85069 (15)	−0.07253 (10)	0.0563 (5)
H4BB	0.866 (3)	0.773 (2)	−0.0831 (14)	0.080 (8)*
N5B	0.9290 (2)	0.92793 (15)	−0.11091 (10)	0.0652 (5)
C1B	0.40567 (18)	1.41730 (15)	0.25539 (9)	0.0383 (4)
C2B	0.3447 (2)	1.51889 (16)	0.27086 (10)	0.0454 (4)
H2BA	0.3608	1.5806	0.2447	0.054*
C3B	0.2599 (2)	1.52490 (18)	0.32609 (11)	0.0500 (5)
H3BA	0.2178	1.5917	0.3370	0.060*
C4B	0.23559 (19)	1.43340 (18)	0.36616 (11)	0.0480 (5)
H4BA	0.1802	1.4413	0.4042	0.058*
C5B	0.29213 (18)	1.33217 (17)	0.35015 (10)	0.0424 (4)
H5BA	0.2738	1.2706	0.3763	0.051*
C6B	0.37813 (17)	1.32248 (15)	0.29381 (9)	0.0368 (4)
C7B	0.45102 (17)	1.23172 (15)	0.26345 (9)	0.0365 (4)
C8B	0.52169 (18)	1.27408 (15)	0.20931 (9)	0.0373 (4)
C9B	0.60246 (18)	1.20425 (15)	0.16399 (10)	0.0391 (4)
H9BA	0.6333	1.1443	0.1855	0.047*
C10B	0.6420 (2)	1.20839 (15)	0.09709 (10)	0.0420 (4)
H10B	0.6236	1.2692	0.0725	0.050*
C11B	0.71322 (19)	1.11722 (15)	0.06399 (10)	0.0408 (4)
H11B	0.7314	1.0574	0.0895	0.049*
C12B	0.7857 (2)	0.90104 (15)	−0.02282 (10)	0.0437 (4)
C13B	0.8952 (3)	1.02883 (18)	−0.08422 (12)	0.0575 (6)
H13B	0.9251	1.0998	−0.0998	0.069*
C14B	0.5777 (2)	1.47295 (16)	0.16779 (10)	0.0432 (4)
H14B	0.6475	1.4314	0.1454	0.052*
C15B	0.4908 (3)	1.5060 (2)	0.10514 (12)	0.0648 (6)
H15D	0.5475	1.5581	0.0805	0.097*
H15E	0.4198	1.5459	0.1248	0.097*
H15F	0.4503	1.4350	0.0705	0.097*
C16B	0.6536 (2)	1.58146 (18)	0.22234 (13)	0.0576 (5)
H16D	0.7206	1.6251	0.1983	0.086*
H16E	0.6987	1.5561	0.2636	0.086*
H16F	0.5896	1.6318	0.2396	0.086*
C17B	0.45015 (17)	1.11375 (15)	0.28393 (10)	0.0381 (4)
C18B	0.4860 (2)	1.10356 (16)	0.35652 (11)	0.0457 (4)
H18B	0.5065	1.1721	0.3929	0.055*
C19B	0.4921 (2)	0.99369 (19)	0.37605 (13)	0.0559 (5)
H19B	0.5177	0.9876	0.4247	0.067*
C20B	0.4592 (2)	0.89457 (17)	0.32175 (15)	0.0586 (6)
C21B	0.4200 (2)	0.89917 (18)	0.25037 (14)	0.0615 (6)
H21B	0.3967	0.8296	0.2149	0.074*
C22B	0.4154 (2)	1.00955 (17)	0.23120 (12)	0.0504 (5)
H22B	0.3887	1.0140	0.1824	0.060*