x	y	z	Uiso*/Ueq	Occ. (<1)
N1	0.47840 (14)	0.33032 (13)	0.75754 (9)	0.0496 (3)
H11	0.5555	0.3715	0.7951	0.059*
H12	0.4236	0.2650	0.8131	0.059*
C2	0.56542 (16)	0.24842 (16)	0.66646 (12)	0.0521 (3)
H2A	0.6417	0.1661	0.7071	0.063*
H2B	0.6330	0.3178	0.6099	0.063*
C3	0.43454 (16)	0.18491 (14)	0.59804 (12)	0.0478 (3)
H3A	0.4922	0.1350	0.5367	0.057*
H3B	0.3740	0.1092	0.6540	0.057*
N4	0.31104 (13)	0.30552 (11)	0.53920 (9)	0.0435 (2)
C5	0.22526 (17)	0.38282 (15)	0.63102 (12)	0.0499 (3)
H5A	0.1632	0.3105	0.6890	0.060*
H5B	0.1438	0.4621	0.5923	0.060*
C6	0.35447 (19)	0.45212 (16)	0.69650 (13)	0.0561 (3)
H6A	0.4148	0.5262	0.6389	0.067*
H6B	0.2966	0.5042	0.7565	0.067*
C21	0.19938 (15)	0.25100 (13)	0.46154 (11)	0.0427 (3)
C22	0.26637 (16)	0.21262 (14)	0.35255 (11)	0.0463 (3)
C23	0.16107 (18)	0.15988 (17)	0.27531 (13)	0.0576 (3)
H23	0.2063	0.1337	0.2035	0.069*
C24	−0.01099 (19)	0.14591 (19)	0.30429 (15)	0.0649 (4)
H24	−0.0806	0.1102	0.2521	0.078*
C25	−0.07834 (18)	0.18457 (18)	0.40935 (15)	0.0644 (4)
H25	−0.1940	0.1763	0.4283	0.077*
C26	0.02619 (17)	0.23620 (15)	0.48775 (13)	0.0532 (3)
H26	−0.0207	0.2615	0.5594	0.064*
O22	0.43698 (12)	0.23087 (12)	0.32891 (8)	0.0587 (3)
C27	0.50598 (18)	0.20342 (16)	0.21566 (12)	0.0541 (3)
H27A	0.6256	0.2200	0.2105	0.081*
H27B	0.4904	0.1001	0.2090	0.081*
H27C	0.4486	0.2715	0.1508	0.081*
C31	0.7592 (6)	0.4912 (5)	0.9702 (5)	0.0396 (11)	0.572 (9)
O31	0.7521 (6)	0.4322 (5)	0.8811 (5)	0.0587 (10)	0.572 (9)
O32	0.6295 (6)	0.5334 (6)	1.0339 (5)	0.0540 (9)	0.572 (9)
H32	0.5412	0.5112	1.0068	0.081*	0.286
C32	0.9263 (5)	0.5248 (3)	1.0179 (3)	0.0476 (11)	0.572 (9)
H32A	0.9320	0.6190	1.0756	0.057*	0.572 (9)
C34	0.7860 (7)	0.4556 (8)	0.9314 (7)	0.0410 (14)	0.428 (9)
O33	0.7520 (8)	0.4140 (9)	0.8394 (6)	0.0583 (12)	0.428 (9)
O34	0.6784 (8)	0.4985 (9)	1.0107 (5)	0.0557 (14)	0.428 (9)
H34	0.5809	0.4886	0.9913	0.084*	0.214
C33	0.9707 (5)	0.4644 (5)	0.9604 (4)	0.0472 (15)	0.428 (9)
H33A	1.0572	0.4552	0.8986	0.057*	0.428 (9)
C41	0.24159 (13)	0.01915 (13)	0.97848 (10)	0.0383 (3)
O41	0.25523 (10)	0.12259 (12)	0.89098 (9)	0.0615 (3)
O42	0.36567 (10)	−0.05149 (12)	1.04016 (8)	0.0574 (3)
H42	0.4557	−0.0178	1.0112	0.086*	0.5
C42	0.07112 (13)	−0.03520 (14)	1.02179 (10)	0.0393 (3)
H42A	0.0657	−0.1221	1.0818	0.047*