x	y	z	Uiso*/Ueq
N1	0.52986 (10)	0.18706 (10)	0.64831 (10)	0.0293 (3)
C2	0.48214 (12)	0.13857 (13)	0.72047 (12)	0.0335 (3)
H2A	0.5451	0.1407	0.7989	0.040*
H2B	0.4609	0.0616	0.6993	0.040*
C3	0.37079 (12)	0.19934 (13)	0.71033 (11)	0.0321 (3)
H3A	0.3360	0.1622	0.7553	0.038*
H3B	0.3939	0.2740	0.7398	0.038*
N4	0.27950 (10)	0.20437 (11)	0.59349 (9)	0.0310 (3)
C5	0.32597 (13)	0.24338 (15)	0.51615 (12)	0.0376 (3)
H5A	0.3457	0.3217	0.5292	0.045*
H5B	0.2629	0.2343	0.4384	0.045*
C6	0.43884 (13)	0.18029 (13)	0.53272 (12)	0.0342 (3)
H6A	0.4173	0.1032	0.5122	0.041*
H6B	0.4723	0.2103	0.4834	0.041*
C11	0.64509 (13)	0.13691 (12)	0.66549 (15)	0.0371 (3)
H11A	0.6295	0.0625	0.6341	0.045*
H11B	0.6988	0.1313	0.7465	0.045*
O11	0.87114 (9)	0.40074 (9)	0.46855 (9)	0.0362 (2)
C12	0.83867 (16)	0.50226 (13)	0.49898 (14)	0.0407 (4)
H12A	0.7743	0.5375	0.4326	0.049*
H12B	0.9100	0.5511	0.5296	0.049*
O13	0.79616 (10)	0.48304 (9)	0.58078 (10)	0.0391 (3)
C3A	0.77539 (12)	0.37264 (11)	0.57687 (12)	0.0280 (3)
C14	0.71953 (12)	0.31497 (12)	0.62874 (12)	0.0312 (3)
H14	0.6897	0.3498	0.6751	0.037*
C15	0.70819 (12)	0.20229 (12)	0.61057 (12)	0.0299 (3)
C16	0.75523 (12)	0.15362 (12)	0.54436 (12)	0.0316 (3)
H16	0.7471	0.0773	0.5330	0.038*
C17	0.81427 (12)	0.21356 (12)	0.49382 (11)	0.0311 (3)
H17	0.8479	0.1795	0.4501	0.037*
C7A	0.82108 (11)	0.32314 (12)	0.51047 (11)	0.0269 (3)
C47	0.15968 (12)	0.18798 (11)	0.55740 (11)	0.0273 (3)
O47	0.08510 (9)	0.19648 (11)	0.45924 (8)	0.0426 (3)
C41	0.11656 (11)	0.15520 (11)	0.64264 (10)	0.0240 (3)
C42	0.09914 (11)	0.22960 (10)	0.71238 (10)	0.0236 (3)
Cl42	0.13921 (3)	0.36508 (3)	0.71225 (3)	0.03486 (11)
C43	0.04921 (11)	0.19988 (11)	0.78313 (11)	0.0261 (3)
H43	0.0384	0.2518	0.8306	0.031*
C44	0.01549 (11)	0.09273 (12)	0.78272 (11)	0.0276 (3)
Cl44	−0.04771 (4)	0.05479 (4)	0.87079 (3)	0.04291 (12)
C45	0.02990 (12)	0.01613 (11)	0.71408 (12)	0.0310 (3)
H45	0.0052	−0.0570	0.7143	0.037*
C46	0.08095 (12)	0.04794 (11)	0.64495 (12)	0.0291 (3)
H46	0.0920	−0.0044	0.5980	0.035*