x	y	z	Uiso*/Ueq
C1A	0.07924 (17)	0.64421 (12)	0.39067 (10)	0.0280 (3)
C2A	−0.05629 (16)	0.60295 (12)	0.36161 (10)	0.0266 (3)
C3A	−0.02230 (17)	0.54096 (12)	0.28266 (10)	0.0277 (3)
H3A	−0.1168	0.5129	0.2652	0.033*
C4A	0.14689 (17)	0.52009 (12)	0.22990 (10)	0.0272 (3)
C5A	0.28403 (17)	0.55999 (13)	0.25897 (11)	0.0311 (3)
H5A	0.4022	0.5452	0.2238	0.037*
C6A	0.25051 (17)	0.61995 (13)	0.33725 (11)	0.0318 (3)
H6A	0.3462	0.6456	0.3556	0.038*
C7A	0.17964 (18)	0.46001 (13)	0.14103 (11)	0.0328 (3)
H7A	0.0658	0.4412	0.1318	0.039*
H7B	0.2224	0.5269	0.0749	0.039*
C8A	0.3333 (2)	0.26316 (15)	0.07972 (12)	0.0408 (3)
H8A	0.2200	0.2359	0.0819	0.061*
H8B	0.4277	0.1822	0.0934	0.061*
H8C	0.3646	0.3263	0.0100	0.061*
N1A	−0.23762 (14)	0.62436 (11)	0.41284 (10)	0.0339 (3)
N2A	0.31439 (14)	0.33107 (10)	0.16086 (8)	0.0270 (2)
H2A	0.4233	0.3503	0.1621	0.032*
H2B	0.2807	0.2726	0.2259	0.032*
O1A	0.06011 (13)	0.70500 (10)	0.46491 (8)	0.0388 (2)
H1A	−0.0465	0.7123	0.4939	0.058*
O2A	−0.27172 (14)	0.68749 (10)	0.47848 (9)	0.0457 (3)
O3A	−0.35065 (13)	0.58060 (12)	0.39075 (10)	0.0518 (3)
C1B	0.08090 (17)	0.14787 (12)	0.89457 (10)	0.0271 (3)
C2B	−0.03119 (15)	0.10203 (12)	0.85044 (10)	0.0248 (3)
C3B	0.03195 (16)	0.04521 (12)	0.76886 (10)	0.0256 (3)
H3B	−0.0483	0.0164	0.7401	0.031*
C4B	0.21073 (16)	0.03066 (12)	0.72966 (10)	0.0251 (3)
C5B	0.32453 (17)	0.07415 (13)	0.77435 (11)	0.0294 (3)
H5B	0.4486	0.0636	0.7488	0.035*
C6B	0.26146 (17)	0.13157 (13)	0.85399 (11)	0.0317 (3)
H6B	0.3423	0.1608	0.8821	0.038*
C7B	0.28683 (17)	−0.02588 (12)	0.63923 (10)	0.0285 (3)
H7C	0.2538	0.0440	0.5729	0.034*
H7D	0.4189	−0.0455	0.6340	0.034*
C8B	0.3304 (2)	−0.22269 (14)	0.57491 (11)	0.0383 (3)
H8D	0.3227	−0.1618	0.5028	0.057*
H8E	0.2844	−0.3051	0.5841	0.057*
H8F	0.4554	−0.2478	0.5879	0.057*
N1B	−0.22054 (14)	0.11494 (11)	0.88843 (9)	0.0311 (3)
N2B	0.22290 (13)	−0.15229 (10)	0.65039 (9)	0.0260 (2)
H2C	0.2293	−0.2100	0.7180	0.031*
H2D	0.1052	−0.1306	0.6391	0.031*
O1B	0.03022 (13)	0.20461 (10)	0.97277 (8)	0.0357 (2)
H1B	−0.0805	0.2095	0.9912	0.054*
O2B	−0.28171 (13)	0.17175 (11)	0.95706 (8)	0.0424 (3)
O3B	−0.31379 (13)	0.06993 (12)	0.85167 (10)	0.0492 (3)
Cl1A	0.70902 (4)	0.37097 (3)	0.13787 (3)	0.03519 (10)
Cl1B	0.18542 (4)	0.12266 (3)	0.36875 (2)	0.03163 (10)