x	y	z	Uiso*/Ueq
C1	0.38777 (15)	0.3850 (3)	0.24330 (13)	0.0472 (7)
H1	0.4111	0.4733	0.2374	0.057*
C2	0.52215 (16)	0.2834 (3)	0.24439 (13)	0.0458 (7)
C3	0.53440 (16)	0.3814 (3)	0.19259 (13)	0.0497 (7)
H3A	0.5906	0.3831	0.1890	0.060*
H3B	0.5197	0.4707	0.2048	0.060*
C4	0.48636 (17)	0.3471 (3)	0.12818 (13)	0.0529 (7)
C5	0.40156 (18)	0.3958 (3)	0.11569 (14)	0.0673 (9)
H5A	0.3793	0.3748	0.0718	0.081*
H5B	0.4021	0.4928	0.1198	0.081*
C6	0.5063 (2)	0.2202 (3)	0.09693 (16)	0.0785 (10)
H6A	0.4628	0.1711	0.0717	0.094*
H6B	0.5485	0.1646	0.1197	0.094*
C7	0.5293 (2)	0.3518 (3)	0.07165 (15)	0.0748 (10)
H7A	0.4996	0.3826	0.0313	0.090*
H7B	0.5853	0.3761	0.0793	0.090*
C8	0.32870 (15)	0.4017 (3)	0.28901 (13)	0.0461 (7)
C9	0.26482 (16)	0.3140 (3)	0.28908 (14)	0.0551 (8)
H9	0.2578	0.2431	0.2602	0.066*
C10	0.21165 (16)	0.3302 (3)	0.33116 (15)	0.0598 (8)
H10	0.1691	0.2710	0.3301	0.072*
C11	0.22164 (17)	0.4337 (3)	0.37465 (15)	0.0582 (8)
H11	0.1861	0.4458	0.4031	0.070*
C12	0.28542 (16)	0.5189 (3)	0.37502 (13)	0.0496 (7)
C13	0.33890 (16)	0.5053 (3)	0.33310 (13)	0.0484 (7)
H13	0.3813	0.5649	0.3345	0.058*
C14	0.43844 (15)	0.1901 (3)	0.31425 (14)	0.0456 (7)
C15	0.45269 (18)	0.2164 (3)	0.37871 (15)	0.0593 (8)
H15	0.4730	0.2995	0.3935	0.071*
C16	0.4370 (2)	0.1200 (4)	0.42134 (16)	0.0750 (10)
H16	0.4467	0.1380	0.4649	0.090*
C17	0.4070 (2)	−0.0028 (3)	0.39960 (18)	0.0771 (10)
H17	0.3961	−0.0679	0.4283	0.093*
C18	0.39337 (19)	−0.0286 (3)	0.33550 (18)	0.0715 (9)
H18	0.3733	−0.1118	0.3209	0.086*
C19	0.40877 (17)	0.0665 (3)	0.29254 (15)	0.0582 (8)
H19	0.3993	0.0479	0.2490	0.070*
N1	0.45322 (12)	0.2936 (2)	0.27006 (10)	0.0443 (6)
N2	0.29752 (18)	0.6265 (3)	0.42288 (12)	0.0603 (7)
O1	0.24710 (15)	0.6440 (2)	0.45664 (11)	0.0846 (7)
O2	0.35847 (16)	0.6932 (2)	0.42706 (11)	0.0858 (7)
O3	0.57139 (11)	0.19619 (19)	0.26254 (10)	0.0632 (6)
S1	0.33553 (5)	0.32922 (9)	0.16613 (4)	0.0704 (3)
C20	0.64468 (15)	0.8845 (3)	0.29410 (13)	0.0484 (7)
H20	0.6223	0.9700	0.2766	0.058*
C21	0.52037 (16)	0.7803 (3)	0.23659 (13)	0.0435 (7)
C22	0.52413 (16)	0.8762 (3)	0.18223 (13)	0.0538 (8)
H22A	0.5306	0.9668	0.1992	0.065*
H22B	0.4738	0.8727	0.1531	0.065*
C23	0.59097 (18)	0.8473 (3)	0.14525 (14)	0.0594 (8)
C24	0.67190 (18)	0.9037 (4)	0.17153 (14)	0.0725 (10)
H24A	0.6666	0.9999	0.1766	0.087*
H24B	0.7066	0.8894	0.1402	0.087*
C25	0.5874 (2)	0.7178 (4)	0.10892 (16)	0.0812 (10)
H25A	0.6374	0.6731	0.1062	0.097*
H25B	0.5429	0.6581	0.1114	0.097*
C26	0.5701 (2)	0.8472 (4)	0.07334 (16)	0.0862 (11)
H26A	0.5152	0.8656	0.0545	0.103*
H26B	0.6097	0.8807	0.0492	0.103*
C27	0.68160 (15)	0.9101 (3)	0.36255 (13)	0.0473 (7)
C28	0.66026 (17)	1.0246 (3)	0.39258 (15)	0.0611 (8)
H28	0.6247	1.0854	0.3700	0.073*
C29	0.6914 (2)	1.0492 (4)	0.45580 (16)	0.0747 (10)
H29	0.6770	1.1271	0.4752	0.090*
C30	0.74311 (19)	0.9604 (4)	0.49030 (15)	0.0686 (9)
H30	0.7634	0.9761	0.5331	0.082*
C31	0.76402 (16)	0.8479 (3)	0.45990 (14)	0.0525 (7)
C32	0.73499 (16)	0.8210 (3)	0.39678 (14)	0.0514 (7)
H32	0.7510	0.7442	0.3774	0.062*
C33	0.58190 (15)	0.6820 (3)	0.33613 (13)	0.0439 (7)
C34	0.55008 (18)	0.7007 (3)	0.39071 (15)	0.0611 (8)
H34	0.5234	0.7801	0.3966	0.073*
C35	0.5576 (2)	0.6016 (4)	0.43721 (16)	0.0797 (10)
H35	0.5369	0.6149	0.4746	0.096*
C36	0.5957 (2)	0.4837 (4)	0.42757 (18)	0.0775 (11)
H36	0.6007	0.4169	0.4586	0.093*
C37	0.62626 (18)	0.4640 (3)	0.37303 (19)	0.0719 (10)
H37	0.6514	0.3832	0.3667	0.086*
C38	0.62024 (16)	0.5631 (3)	0.32684 (14)	0.0549 (8)
H38	0.6418	0.5497	0.2898	0.066*
N3	0.57806 (12)	0.7883 (2)	0.28935 (10)	0.0425 (5)
N4	0.81967 (15)	0.7509 (3)	0.49575 (14)	0.0637 (7)
O4	0.85870 (14)	0.7871 (2)	0.54671 (11)	0.0852 (7)
O5	0.82594 (15)	0.6398 (3)	0.47322 (12)	0.0904 (8)
O6	0.46794 (11)	0.69436 (18)	0.23280 (9)	0.0551 (5)
S2	0.72025 (4)	0.83452 (9)	0.24715 (4)	0.0681 (3)