x	y	z	Uiso*/Ueq
O1	0.16941 (15)	0.34698 (9)	−0.00111 (8)	0.0462
C2	0.13553 (19)	0.27238 (13)	−0.11979 (11)	0.0385
C3	0.16678 (17)	0.14123 (12)	−0.10953 (12)	0.0363
C4	0.12326 (18)	0.05485 (13)	−0.22545 (12)	0.0396
O5	0.05704 (15)	0.09384 (10)	−0.34457 (9)	0.0493
C6	0.0349 (2)	0.22168 (15)	−0.35487 (13)	0.0480
C7	0.0715 (2)	0.31027 (14)	−0.23575 (13)	0.0453
O8	−0.0149 (2)	0.24941 (13)	−0.46358 (10)	0.0703
C9	0.1466 (2)	−0.07411 (14)	−0.22593 (15)	0.0499
C10	0.2154 (2)	−0.11591 (15)	−0.10867 (16)	0.0531
C11	0.2611 (2)	−0.03116 (15)	0.00810 (15)	0.0504
C12	0.2373 (2)	0.09635 (14)	0.00783 (13)	0.0436
C13	0.26101 (19)	0.49181 (13)	0.02252 (12)	0.0394
O14	0.31022 (19)	0.56038 (11)	−0.06000 (10)	0.0605
C15	0.29273 (18)	0.54219 (12)	0.15893 (11)	0.0361
C16	0.40333 (19)	0.68335 (13)	0.20353 (12)	0.0399
C17	0.4486 (2)	0.73643 (14)	0.33261 (13)	0.0438
C18	0.38190 (19)	0.64988 (14)	0.42412 (12)	0.0399
N19	0.42952 (19)	0.70056 (13)	0.55279 (11)	0.0513
C20	0.3356 (3)	0.61733 (19)	0.64173 (14)	0.0591
C21	0.5486 (4)	0.8446 (2)	0.59983 (17)	0.0903
C22	0.2647 (2)	0.50796 (14)	0.37750 (12)	0.0422
C23	0.22417 (19)	0.45612 (13)	0.24879 (12)	0.0402
H71	0.0500	0.3963	−0.2441	0.0557*
H91	0.1132	−0.1320	−0.3079	0.0600*
H101	0.2329	−0.2053	−0.1062	0.0641*
H111	0.3097	−0.0605	0.0902	0.0601*
H121	0.2673	0.1552	0.0875	0.0528*
H161	0.4492	0.7442	0.1416	0.0485*
H171	0.5265	0.8322	0.3594	0.0528*
H201	0.3856	0.6702	0.7280	0.0885*
H203	0.1930	0.5921	0.6121	0.0885*
H202	0.3622	0.5286	0.6450	0.0885*
H211	0.5837	0.8563	0.6932	0.1350*
H213	0.4752	0.9046	0.5672	0.1350*
H212	0.6655	0.8711	0.5708	0.1350*
H221	0.2121	0.4466	0.4367	0.0519*
H231	0.1484	0.3589	0.2193	0.0481*