x	y	z	Uiso*/Ueq
O1A	0.8121 (3)	0.6853 (7)	−0.0240 (2)	0.0288 (10)
O2A	0.6870 (3)	0.4176 (7)	0.01863 (19)	0.0190 (9)
O3A	0.7822 (3)	0.2958 (8)	0.0975 (2)	0.0261 (10)
N1A	0.6619 (3)	0.4852 (9)	0.1293 (2)	0.0199 (11)
C1A	0.8205 (4)	0.4889 (10)	−0.0388 (3)	0.0194 (12)
C2A	0.7421 (3)	0.3312 (10)	−0.0333 (3)	0.0170 (11)
H2A	0.759703	0.172549	−0.022792	0.020*
C3A	0.7164 (4)	0.3938 (10)	0.0838 (3)	0.0201 (12)
C4A	0.6799 (4)	0.4475 (11)	0.2031 (3)	0.0224 (13)
H4A	0.731816	0.351359	0.206096	0.027*
C5A	0.6988 (4)	0.6660 (12)	0.2408 (3)	0.0337 (16)
H5AA	0.717040	0.631644	0.287699	0.051*
H5AB	0.647681	0.759697	0.242005	0.051*
H5AC	0.743922	0.747829	0.217106	0.051*
C6A	0.6084 (4)	0.3161 (12)	0.2359 (3)	0.0286 (14)
H6AA	0.625444	0.268598	0.281976	0.043*
H6AB	0.595400	0.182491	0.208083	0.043*
H6AC	0.557999	0.412251	0.238758	0.043*
C7A	0.5909 (3)	0.6403 (10)	0.1106 (3)	0.0186 (12)
H7A	0.563719	0.685615	0.154630	0.022*
C8A	0.6230 (4)	0.8573 (11)	0.0779 (3)	0.0267 (13)
H8AA	0.666444	0.925211	0.107349	0.040*
H8AB	0.575809	0.963387	0.072233	0.040*
H8AC	0.647270	0.822968	0.033024	0.040*
C9A	0.5215 (4)	0.5267 (11)	0.0676 (3)	0.0218 (12)
H9AA	0.471118	0.623236	0.066660	0.033*
H9AB	0.507155	0.380250	0.087855	0.033*
H9AC	0.541918	0.504067	0.020820	0.033*
C10A	0.9019 (4)	0.3949 (9)	−0.0646 (3)	0.0172 (11)
C11A	0.9726 (4)	0.5377 (11)	−0.0640 (3)	0.0238 (13)
H11A	0.967778	0.685807	−0.045748	0.029*
C12A	1.0490 (4)	0.4657 (12)	−0.0897 (3)	0.0303 (15)
H12A	1.096641	0.563704	−0.088757	0.036*
C13A	1.0564 (4)	0.2506 (13)	−0.1167 (3)	0.0327 (16)
H13A	1.108798	0.202773	−0.135411	0.039*
C14A	0.9876 (4)	0.1038 (11)	−0.1168 (3)	0.0297 (15)
H14A	0.993042	−0.044172	−0.135173	0.036*
C15A	0.9104 (3)	0.1759 (10)	−0.0897 (3)	0.0213 (12)
H15A	0.863640	0.075140	−0.088342	0.026*
C16A	0.6918 (3)	0.3416 (10)	−0.0996 (3)	0.0184 (12)
C17A	0.6459 (4)	0.5366 (11)	−0.1152 (3)	0.0253 (13)
H17A	0.647648	0.661921	−0.084779	0.030*
C18A	0.5975 (4)	0.5490 (12)	−0.1749 (3)	0.0276 (14)
H18A	0.565708	0.681533	−0.184613	0.033*
C19A	0.5955 (4)	0.3686 (12)	−0.2201 (3)	0.0294 (15)
H19A	0.562904	0.377176	−0.261009	0.035*
C20A	0.6413 (4)	0.1766 (12)	−0.2050 (3)	0.0302 (15)
H20A	0.639871	0.052366	−0.235793	0.036*
C21A	0.6895 (4)	0.1619 (11)	−0.1456 (3)	0.0230 (13)
H21A	0.721040	0.028715	−0.136229	0.028*
O1B	0.6967 (3)	0.7307 (7)	0.4533 (2)	0.0271 (10)
O2B	0.8103 (3)	0.4526 (7)	0.51374 (18)	0.0194 (9)
O3B	0.7098 (3)	0.3500 (8)	0.5898 (2)	0.0264 (10)
N1B	0.8295 (3)	0.5399 (9)	0.6247 (2)	0.0196 (10)
C1B	0.6829 (4)	0.5301 (10)	0.4479 (3)	0.0200 (12)
C2B	0.7551 (3)	0.3627 (10)	0.4613 (3)	0.0183 (12)
H2B	0.732304	0.212046	0.475242	0.022*
C3B	0.7777 (4)	0.4423 (10)	0.5781 (3)	0.0189 (12)
C4B	0.8101 (4)	0.5094 (11)	0.6976 (3)	0.0258 (14)
H4B	0.756939	0.418041	0.700236	0.031*
C5B	0.7933 (5)	0.7329 (14)	0.7337 (3)	0.0413 (19)
H5BA	0.846412	0.817367	0.738191	0.062*
H5BB	0.770122	0.703504	0.779273	0.062*
H5BC	0.752597	0.821747	0.706896	0.062*
C6B	0.8799 (5)	0.3745 (13)	0.7337 (3)	0.0386 (18)
H6BA	0.863578	0.346188	0.781268	0.058*
H6BB	0.932837	0.460894	0.732922	0.058*
H6BC	0.888072	0.230129	0.710081	0.058*
C7B	0.9040 (4)	0.6810 (10)	0.6067 (3)	0.0216 (12)
H7B	0.928159	0.734045	0.651270	0.026*
C8B	0.8777 (4)	0.8945 (11)	0.5683 (3)	0.0278 (14)
H8BA	0.833198	0.972502	0.593895	0.042*
H8BB	0.856216	0.853703	0.522793	0.042*
H8BC	0.926743	0.994531	0.563576	0.042*
C9B	0.9745 (4)	0.5502 (11)	0.5720 (3)	0.0272 (14)
H9BA	0.986965	0.413125	0.598401	0.041*
H9BB	1.025404	0.644571	0.569792	0.041*
H9BC	0.956746	0.508404	0.525597	0.041*
C10B	0.5976 (3)	0.4428 (10)	0.4260 (3)	0.0165 (11)
C11B	0.5695 (4)	0.2237 (10)	0.4395 (3)	0.0206 (12)
H11B	0.606805	0.115534	0.459205	0.025*
C12B	0.4860 (3)	0.1654 (11)	0.4238 (3)	0.0223 (12)
H12B	0.466538	0.016660	0.433074	0.027*
C13B	0.4313 (4)	0.3211 (12)	0.3951 (3)	0.0260 (14)
H13B	0.374611	0.278911	0.384894	0.031*
C14B	0.4588 (4)	0.5393 (11)	0.3809 (3)	0.0232 (13)
H14B	0.421022	0.646333	0.361192	0.028*
C15B	0.5419 (4)	0.5997 (10)	0.3959 (3)	0.0221 (13)
H15B	0.561242	0.747893	0.385732	0.027*
C16B	0.8076 (3)	0.3419 (10)	0.3967 (3)	0.0185 (11)
C17B	0.8615 (4)	0.5147 (11)	0.3770 (3)	0.0220 (12)
H17B	0.866476	0.646580	0.404392	0.026*
C18B	0.9080 (4)	0.4954 (11)	0.3172 (3)	0.0235 (13)
H18B	0.944589	0.614749	0.303810	0.028*
C19B	0.9015 (4)	0.3042 (12)	0.2771 (3)	0.0286 (15)
H19B	0.933510	0.292162	0.236173	0.034*
C20B	0.8484 (4)	0.1302 (11)	0.2965 (3)	0.0259 (14)
H20B	0.843657	−0.001200	0.268859	0.031*
C21B	0.8016 (4)	0.1475 (10)	0.3570 (3)	0.0217 (12)
H21B	0.765911	0.026904	0.370783	0.026*