x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.5468 (2)	0.4000 (2)	0.1080 (2)	0.0430 (6)
C2	0.6117 (3)	0.4743 (2)	0.0804 (2)	0.0450 (6)
H2	0.5758	0.5365	0.056	0.054*
C3	0.7309 (3)	0.4559 (2)	0.0893 (2)	0.0462 (7)
C4	0.7851 (3)	0.3631 (2)	0.1243 (2)	0.0474 (7)
C5	0.7189 (3)	0.2888 (2)	0.1513 (2)	0.0493 (7)
H5	0.7544	0.2264	0.1755	0.059*
C6	0.6006 (3)	0.3075 (2)	0.1423 (2)	0.0484 (7)
H6	0.5571	0.2569	0.1596	0.058*
C7	0.3634 (3)	0.4981 (2)	0.0983 (2)	0.0468 (6)
C8	0.2429 (3)	0.4810 (3)	0.1042 (3)	0.0564 (8)
H8	0.2164	0.4132	0.0976	0.068*
C9	0.1684 (3)	0.5495 (2)	0.1176 (3)	0.0585 (8)
H9	0.0983	0.5213	0.1212	0.07*
C10	0.1759 (3)	0.6647 (2)	0.1281 (2)	0.0524 (7)
C11	0.7982 (3)	0.5385 (2)	0.0590 (3)	0.0589 (8)
H11A	0.8646	0.5613	0.1118	0.088*
H11B	0.7457	0.5955	0.0336	0.088*
H11C	0.8272	0.5115	0.0123	0.088*
C12	0.9124 (3)	0.3412 (3)	0.1342 (3)	0.0626 (9)
H12A	0.9338	0.2734	0.1594	0.094*	0.5
H12B	0.9639	0.3909	0.1754	0.094*	0.5
H12C	0.9211	0.3453	0.074	0.094*	0.5
H12D	0.9455	0.3996	0.1131	0.094*	0.5
H12E	0.9153	0.2822	0.0972	0.094*	0.5
H12F	0.9581	0.3278	0.1985	0.094*	0.5
N1	0.4259 (2)	0.41119 (17)	0.10310 (19)	0.0495 (6)
H1	0.3879	0.3549	0.1032	0.059*
O1	0.40148 (19)	0.58444 (16)	0.08902 (19)	0.0609 (6)
O2	0.2602 (2)	0.71471 (17)	0.1095 (2)	0.0745 (7)
H2A	0.3048	0.671	0.092	0.089*
O3	0.1018 (2)	0.70943 (18)	0.1511 (2)	0.0708 (7)
C21	−0.0264 (2)	0.63766 (18)	0.36357 (17)	0.0369 (5)
C22	−0.0921 (3)	0.7141 (2)	0.38831 (19)	0.0388 (6)
H22	−0.0562	0.7768	0.4112	0.047*
C23	−0.2114 (2)	0.69692 (19)	0.37893 (18)	0.0382 (6)
C24	−0.2663 (2)	0.6027 (2)	0.34333 (18)	0.0405 (6)
C25	−0.1979 (3)	0.5278 (2)	0.3203 (2)	0.0480 (7)
H25	−0.2328	0.4647	0.2978	0.058*
C26	−0.0802 (3)	0.5444 (2)	0.3298 (2)	0.0471 (7)
H26	−0.0366	0.4931	0.3135	0.056*
C27	0.1559 (3)	0.7351 (2)	0.3711 (2)	0.0429 (6)
C28	0.2785 (3)	0.7178 (2)	0.3698 (2)	0.0505 (7)
H28	0.3061	0.6503	0.3785	0.061*
C29	0.3543 (3)	0.7882 (2)	0.3577 (3)	0.0552 (8)
H29	0.4274	0.7609	0.3597	0.066*
C30	0.3450 (3)	0.8997 (2)	0.3418 (2)	0.0511 (7)
C31	−0.2811 (3)	0.7797 (2)	0.4058 (2)	0.0525 (7)
H31A	−0.2289	0.8363	0.4332	0.079*
H31B	−0.3142	0.7529	0.4503	0.079*
H31C	−0.3447	0.8029	0.3513	0.079*
C32	−0.3959 (3)	0.5826 (3)	0.3293 (2)	0.0548 (7)
H32A	−0.415	0.5124	0.3107	0.082*
H32B	−0.4455	0.6275	0.2816	0.082*
H32C	−0.41	0.5952	0.3866	0.082*
N2	0.09531 (19)	0.64905 (16)	0.37116 (16)	0.0417 (5)
H2N	0.1352	0.5928	0.3765	0.05*
O21	0.11403 (19)	0.82277 (15)	0.37276 (19)	0.0594 (6)
O22	0.2552 (2)	0.95070 (16)	0.3502 (2)	0.0701 (8)
H22A	0.2037	0.9074	0.3597	0.084*
O23	0.4227 (2)	0.94389 (17)	0.3212 (2)	0.0689 (7)
C41	0.6529 (2)	0.13584 (19)	0.35178 (18)	0.0367 (5)
C42	0.7424 (3)	0.2090 (2)	0.3831 (2)	0.0413 (6)
H42	0.7261	0.2714	0.406	0.05*
C43	0.8552 (2)	0.1909 (2)	0.38079 (19)	0.0400 (5)
C44	0.8820 (2)	0.0970 (2)	0.3492 (2)	0.0408 (6)
C45	0.7941 (3)	0.0228 (2)	0.3204 (2)	0.0488 (7)
H45	0.8121	−0.0407	0.3004	0.059*
C46	0.6794 (2)	0.04100 (19)	0.3205 (2)	0.0441 (6)
H46	0.6206	−0.0094	0.3	0.053*
C47	0.4769 (2)	0.23407 (19)	0.3576 (2)	0.0428 (6)
C48	0.3514 (3)	0.2177 (2)	0.3524 (3)	0.0518 (7)
H48	0.3262	0.1496	0.3481	0.062*
C49	0.2708 (3)	0.2873 (2)	0.3530 (3)	0.0578 (8)
H49	0.1977	0.2596	0.3505	0.069*
C50	0.2750 (3)	0.4020 (2)	0.3570 (2)	0.0538 (7)
C51	0.9488 (3)	0.2750 (2)	0.4126 (3)	0.0619 (9)
H51A	0.9188	0.3299	0.4405	0.093*
H51B	0.9664	0.3009	0.3599	0.093*
H51C	1.0204	0.2475	0.4576	0.093*
C52	1.0043 (3)	0.0740 (3)	0.3436 (3)	0.0600 (8)
H52A	1.0097	0.0021	0.3313	0.09*
H52B	1.0652	0.0917	0.4017	0.09*
H52C	1.0154	0.1137	0.2941	0.09*
N3	0.53418 (19)	0.14672 (16)	0.35181 (16)	0.0420 (5)
H3N	0.4942	0.0907	0.3476	0.05*
O41	0.52359 (19)	0.31979 (15)	0.3658 (2)	0.0668 (7)
O42	0.3700 (2)	0.45152 (16)	0.3612 (2)	0.0663 (7)
H42A	0.4274	0.4076	0.3639	0.08*
O43	0.1861 (2)	0.44801 (18)	0.3567 (2)	0.0835 (9)
C61	−0.1341 (3)	0.8982 (2)	0.11567 (19)	0.0422 (6)
C62	−0.2221 (3)	0.9730 (2)	0.0861 (2)	0.0452 (6)
H62	−0.2043	1.0366	0.0661	0.054*
C63	−0.3375 (3)	0.9533 (2)	0.0862 (2)	0.0468 (6)
C64	−0.3650 (3)	0.8579 (2)	0.1163 (2)	0.0489 (7)
C65	−0.2730 (3)	0.7836 (2)	0.1469 (2)	0.0507 (7)
H65	−0.2894	0.7198	0.1673	0.061*
C66	−0.1596 (3)	0.8041 (2)	0.1469 (2)	0.0502 (7)
H66	−0.0998	0.7546	0.1679	0.06*
C67	0.0405 (3)	0.9968 (2)	0.1050 (2)	0.0466 (7)
C68	0.1659 (3)	0.9812 (2)	0.1108 (2)	0.0523 (8)
H68	0.1915	0.9132	0.115	0.063*
C69	0.2463 (3)	1.0512 (2)	0.1108 (3)	0.0615 (8)
H69	0.3196	1.0235	0.1137	0.074*
C70	0.2430 (3)	1.1660 (2)	0.1070 (3)	0.0554 (8)
C71	−0.4309 (3)	1.0354 (3)	0.0559 (3)	0.0679 (9)
H71A	−0.4987	1.0102	0.0055	0.102*
H71B	−0.3985	1.0946	0.0354	0.102*
H71C	−0.4555	1.0542	0.1074	0.102*
C72	−0.4875 (3)	0.8336 (3)	0.1182 (3)	0.0653 (9)
H72A	−0.4884	0.7648	0.1407	0.098*	0.5
H72B	−0.5452	0.8394	0.0562	0.098*	0.5
H72C	−0.5074	0.8812	0.1587	0.098*	0.5
H72D	−0.5389	0.8921	0.0964	0.098*	0.5
H72E	−0.4821	0.8175	0.1809	0.098*	0.5
H72F	−0.5199	0.7757	0.0784	0.098*	0.5
N4	−0.0147 (2)	0.91139 (17)	0.11665 (17)	0.0450 (5)
H4N	0.0278	0.8563	0.1261	0.054*
O61	−0.0095 (2)	1.08224 (16)	0.0903 (2)	0.0649 (6)
O62	0.1442 (2)	1.21427 (16)	0.09843 (19)	0.0637 (6)
H62A	0.0882	1.1694	0.0969	0.076*
O63	0.3342 (2)	1.21084 (19)	0.1144 (3)	0.0878 (9)