x	y	z	Uiso*/Ueq
S1	0.50315 (4)	0.38212 (4)	0.11927 (2)	0.02004 (11)
O1	0.31361 (12)	0.76460 (10)	0.16457 (7)	0.0297 (3)
N1	0.74892 (14)	0.22921 (12)	0.20606 (8)	0.0237 (3)
N2	0.66177 (14)	0.16781 (12)	0.11226 (8)	0.0215 (3)
N3	0.07766 (14)	0.54098 (12)	−0.08838 (8)	0.0226 (3)
N4	0.25101 (14)	0.50344 (11)	0.01314 (7)	0.0183 (3)
C1	0.61409 (18)	0.34713 (15)	0.29291 (9)	0.0233 (4)
H1	0.5369	0.3255	0.2855	0.028*
C2	0.60597 (19)	0.41897 (16)	0.34179 (10)	0.0287 (4)
H2	0.5222	0.4465	0.3674	0.034*
C3	0.7163 (2)	0.45221 (16)	0.35466 (10)	0.0301 (4)
C4	0.8380 (2)	0.40956 (16)	0.31677 (10)	0.0307 (4)
H4	0.9158	0.4298	0.3252	0.037*
C5	0.84791 (18)	0.33830 (16)	0.26710 (10)	0.0264 (4)
H5	0.9317	0.3108	0.2414	0.032*
C6	0.73559 (17)	0.30653 (14)	0.25448 (9)	0.0202 (3)
C7	0.64954 (17)	0.24899 (14)	0.14957 (9)	0.0204 (3)
C8	0.55242 (17)	0.20873 (14)	0.05698 (9)	0.0203 (3)
C9	0.45492 (16)	0.32321 (14)	0.05084 (9)	0.0186 (3)
C10	0.32638 (16)	0.39460 (14)	0.00112 (9)	0.0186 (3)
C11	0.27980 (18)	0.35759 (15)	−0.05700 (10)	0.0257 (4)
H11	0.3320	0.2823	−0.0668	0.031*
C12	0.15554 (18)	0.43451 (15)	−0.09934 (10)	0.0266 (4)
H12	0.1230	0.4102	−0.1391	0.032*
C13	0.13195 (16)	0.57067 (14)	−0.03208 (9)	0.0191 (3)
C14	0.06599 (17)	0.74316 (14)	0.02929 (9)	0.0202 (3)
C15	−0.05486 (18)	0.83747 (15)	0.03962 (10)	0.0272 (4)
H15	−0.1416	0.8547	0.0126	0.033*
C16	−0.04857 (19)	0.90526 (16)	0.08867 (10)	0.0316 (4)
H16	−0.1305	0.9703	0.0941	0.038*
C17	0.07593 (19)	0.87930 (15)	0.12995 (10)	0.0278 (4)
H17	0.0801	0.9256	0.1641	0.033*
C18	0.19478 (17)	0.78470 (14)	0.12089 (10)	0.0225 (4)
C19	0.19246 (17)	0.71745 (14)	0.07009 (9)	0.0213 (4)
H19	0.2757	0.6549	0.0632	0.026*
C20	0.7059 (3)	0.52907 (19)	0.40976 (12)	0.0483 (6)
H20A	0.7917	0.5462	0.4096	0.058*
H20B	0.6946	0.4857	0.4633	0.058*
H20C	0.6248	0.6051	0.3921	0.058*
C21	0.87705 (18)	0.12023 (16)	0.21626 (11)	0.0303 (4)
H21A	0.8514	0.0509	0.2184	0.036*
H21B	0.9303	0.1054	0.2654	0.036*
H21C	0.9348	0.1318	0.1717	0.036*
C22	0.55248 (19)	0.12289 (15)	0.01110 (10)	0.0276 (4)
H22A	0.6287	0.0447	0.0330	0.033*
H22B	0.5664	0.1557	−0.0442	0.033*
H22C	0.4624	0.1123	0.0147	0.033*
C23	0.42224 (18)	0.64788 (16)	0.17922 (11)	0.0312 (4)
H23A	0.3823	0.5860	0.1995	0.037*
H23B	0.4933	0.6396	0.2182	0.037*
H23C	0.4658	0.6378	0.1301	0.037*
S1'	0.62905 (4)	0.02186 (4)	0.35481 (2)	0.02269 (11)
O1'	0.32556 (14)	0.34116 (11)	0.45343 (7)	0.0364 (3)
N1'	0.86877 (15)	−0.12792 (13)	0.44911 (8)	0.0268 (3)
N2'	0.81090 (15)	−0.18076 (13)	0.34154 (9)	0.0273 (3)
N3'	0.21894 (15)	0.16941 (12)	0.14055 (8)	0.0236 (3)
N4'	0.39489 (14)	0.14313 (11)	0.23753 (8)	0.0188 (3)
C1'	0.80415 (18)	0.07463 (16)	0.46503 (10)	0.0269 (4)
H1'	0.8030	0.1065	0.4096	0.032*
C2'	0.7700 (2)	0.15134 (17)	0.51301 (11)	0.0312 (4)
H2'	0.7424	0.2357	0.4895	0.037*
C3'	0.7748 (2)	0.10854 (18)	0.59446 (11)	0.0336 (4)
C4'	0.8157 (2)	−0.01508 (18)	0.62604 (11)	0.0324 (4)
H4'	0.8218	−0.0473	0.6816	0.039*
C5'	0.84775 (19)	−0.09272 (17)	0.57929 (10)	0.0279 (4)
H5'	0.8753	−0.1770	0.6030	0.033*
C6'	0.84012 (17)	−0.04864 (16)	0.49739 (10)	0.0250 (4)
C7'	0.78435 (17)	−0.10428 (15)	0.38390 (10)	0.0237 (4)
C8'	0.70529 (18)	−0.14324 (15)	0.28392 (10)	0.0259 (4)
C9'	0.59585 (17)	−0.03712 (14)	0.28235 (9)	0.0212 (4)
C10'	0.46677 (17)	0.02952 (14)	0.23224 (9)	0.0204 (3)
C11'	0.41421 (19)	−0.01837 (16)	0.18333 (10)	0.0269 (4)
H11'	0.4618	−0.0989	0.1807	0.032*
C12'	0.29073 (19)	0.05571 (15)	0.13900 (10)	0.0270 (4)
H12'	0.2542	0.0242	0.1052	0.032*
C13'	0.27571 (17)	0.20653 (14)	0.19190 (9)	0.0195 (3)
C14'	0.20829 (16)	0.38181 (14)	0.24965 (9)	0.0194 (3)
C15'	0.13941 (18)	0.50655 (15)	0.22759 (10)	0.0260 (4)
H15'	0.0979	0.5474	0.1755	0.031*
C16'	0.1311 (2)	0.57126 (16)	0.28114 (12)	0.0328 (4)
H16'	0.0825	0.6563	0.2658	0.039*
C17'	0.1926 (2)	0.51390 (16)	0.35649 (11)	0.0327 (4)
H17'	0.1850	0.5586	0.3935	0.039*
C18'	0.26553 (18)	0.39037 (16)	0.37766 (10)	0.0251 (4)
C19'	0.27451 (17)	0.32300 (15)	0.32526 (9)	0.0210 (3)
H19'	0.3249	0.2382	0.3405	0.025*
C20'	0.7379 (3)	0.1922 (2)	0.64597 (13)	0.0567 (7)
H20D	0.6760	0.1704	0.6856	0.068*
H20E	0.6897	0.2754	0.6136	0.068*
H20F	0.8238	0.1856	0.6724	0.068*
C21'	0.96868 (19)	−0.25356 (16)	0.47869 (12)	0.0358 (5)
H21D	0.9171	−0.3061	0.5006	0.043*
H21E	1.0339	−0.2588	0.5199	0.043*
H21F	1.0214	−0.2794	0.4353	0.043*
C22'	0.7241 (2)	−0.22037 (18)	0.22881 (12)	0.0422 (5)
H22D	0.8231	−0.2735	0.2320	0.051*
H22E	0.6952	−0.1686	0.1747	0.051*
H22F	0.6664	−0.2693	0.2438	0.051*
C23'	0.4145 (2)	0.21765 (16)	0.47661 (10)	0.0311 (4)
H23D	0.3615	0.1684	0.4712	0.037*
H23E	0.4501	0.1951	0.5317	0.037*
H23F	0.4936	0.2039	0.4430	0.037*
N5	0.05080 (14)	0.68186 (12)	−0.02343 (8)	0.0225 (3)
H0	−0.0238	0.7215	−0.0569	0.036 (6)*
N5'	0.19792 (14)	0.32157 (12)	0.19486 (8)	0.0212 (3)
H0'	0.1314	0.3641	0.1567	0.029 (5)*