x	y	z	Uiso*/Ueq
S1	0.67977 (4)	1.02828 (3)	0.09802 (2)	0.01751 (7)
S2	0.47162 (3)	1.04245 (3)	0.15477 (2)	0.01496 (6)
S3	0.31676 (3)	0.90940 (3)	0.39554 (2)	0.01143 (6)
C2	0.63692 (12)	0.90552 (11)	0.15096 (6)	0.0128 (2)
C3A	0.73099 (13)	0.85659 (11)	0.07477 (7)	0.0142 (2)
C4	0.77389 (14)	0.78717 (12)	0.04155 (7)	0.0191 (3)
H4	0.762989	0.712529	0.057998	0.023*
C5	0.83241 (14)	0.82984 (13)	−0.01570 (7)	0.0202 (3)
H5	0.862215	0.784025	−0.038767	0.024*
C6	0.84838 (14)	0.93991 (13)	−0.04020 (7)	0.0198 (3)
H6	0.889986	0.967721	−0.079226	0.024*
C7	0.80507 (14)	1.00885 (12)	−0.00895 (7)	0.0189 (3)
H7	0.814762	1.082683	−0.026224	0.023*
C7A	0.74648 (13)	0.96563 (11)	0.04907 (7)	0.0149 (2)
C8	0.57484 (12)	0.89569 (10)	0.21128 (6)	0.0121 (2)
C9	0.50259 (12)	0.95499 (10)	0.22093 (6)	0.0121 (2)
C10	0.46477 (12)	0.87455 (11)	0.32734 (6)	0.0123 (2)
C11	0.57609 (12)	0.81497 (11)	0.26460 (6)	0.0126 (2)
C12	0.37416 (14)	1.08905 (12)	0.19405 (7)	0.0172 (2)
H12A	0.417727	1.120507	0.245597	0.026*
H12B	0.286843	1.019598	0.190301	0.026*
H12C	0.364720	1.152476	0.167707	0.026*
C13	0.17010 (12)	0.82029 (11)	0.32687 (6)	0.0134 (2)
C14	0.11572 (15)	0.69479 (12)	0.32221 (8)	0.0217 (3)
H14	0.159533	0.658842	0.352897	0.026*
C15	−0.00368 (15)	0.62278 (13)	0.27195 (8)	0.0260 (3)
H15	−0.041467	0.537174	0.268056	0.031*
C16	−0.06766 (14)	0.67590 (14)	0.22751 (8)	0.0232 (3)
H16	−0.149850	0.626424	0.193940	0.028*
C17	−0.01210 (14)	0.80064 (13)	0.23196 (8)	0.0219 (3)
H17	−0.055603	0.836490	0.200925	0.026*
C18	0.10750 (13)	0.87374 (12)	0.28186 (7)	0.0172 (2)
H18	0.145806	0.959352	0.285031	0.021*
N1	0.44791 (11)	0.94544 (9)	0.27717 (6)	0.0132 (2)
N2	0.52377 (11)	0.80718 (9)	0.32239 (6)	0.0135 (2)
N3	0.67040 (11)	0.82571 (10)	0.13235 (6)	0.0148 (2)
N4	0.63003 (12)	0.74264 (10)	0.26054 (6)	0.0176 (2)
H02	0.6135 (19)	0.6870 (18)	0.2900 (11)	0.033 (5)*
H01	0.651 (2)	0.7365 (18)	0.2208 (11)	0.034 (5)*
N5	0.41916 (11)	0.86521 (10)	0.38931 (6)	0.0137 (2)
O1	0.35584 (9)	1.03538 (8)	0.38428 (5)	0.01534 (17)
O2	0.28269 (9)	0.87920 (8)	0.46485 (5)	0.01566 (18)
S1'	0.61437 (3)	0.29511 (3)	0.01676 (2)	0.01725 (7)
S2'	0.54376 (3)	0.46946 (3)	0.09428 (2)	0.01721 (7)
S3'	0.46192 (3)	0.42692 (3)	0.35846 (2)	0.01176 (6)
C2'	0.72463 (12)	0.34847 (11)	0.10370 (6)	0.0122 (2)
C3A'	0.85618 (13)	0.34467 (11)	0.03647 (7)	0.0145 (2)
C4'	0.97234 (14)	0.36291 (13)	0.01881 (7)	0.0193 (3)
H4'	1.051620	0.390641	0.055865	0.023*
C5'	0.97023 (15)	0.34001 (13)	−0.05340 (8)	0.0209 (3)
H5'	1.048490	0.351042	−0.065639	0.025*
C6'	0.85444 (15)	0.30083 (12)	−0.10871 (7)	0.0209 (3)
H6'	0.855166	0.285520	−0.157894	0.025*
C7'	0.73941 (15)	0.28421 (12)	−0.09258 (7)	0.0198 (3)
H7'	0.661289	0.259304	−0.130140	0.024*
C7A'	0.74080 (13)	0.30496 (11)	−0.01957 (7)	0.0150 (2)
C8'	0.68045 (12)	0.36129 (10)	0.16870 (6)	0.0115 (2)
C9'	0.59510 (12)	0.40880 (10)	0.17095 (6)	0.0120 (2)
C10'	0.58805 (12)	0.36622 (10)	0.28789 (6)	0.0114 (2)
C11'	0.72036 (12)	0.32086 (10)	0.23520 (6)	0.0117 (2)
C12'	0.41439 (15)	0.48795 (13)	0.11841 (7)	0.0206 (3)
H12D	0.348305	0.410299	0.129017	0.031*
H12E	0.372818	0.515917	0.077628	0.031*
H12F	0.451606	0.547696	0.161728	0.031*
C13'	0.31457 (13)	0.37337 (12)	0.28815 (6)	0.0144 (2)
C14'	0.24643 (13)	0.25133 (12)	0.26169 (7)	0.0163 (2)
H14'	0.280816	0.199034	0.279043	0.020*
C15'	0.12741 (14)	0.20642 (13)	0.20955 (7)	0.0205 (3)
H15'	0.081078	0.123450	0.190146	0.025*
C16'	0.07620 (15)	0.28272 (15)	0.18583 (7)	0.0234 (3)
H16'	−0.006040	0.251404	0.150880	0.028*
C17'	0.14437 (15)	0.40440 (15)	0.21284 (8)	0.0242 (3)
H17'	0.108590	0.456059	0.196406	0.029*
C18'	0.26492 (15)	0.45107 (13)	0.26390 (7)	0.0199 (3)
H18'	0.312684	0.534651	0.281964	0.024*
N1'	0.55003 (11)	0.41385 (9)	0.22932 (5)	0.01266 (19)
N2'	0.67301 (10)	0.32232 (9)	0.29374 (5)	0.01215 (19)
N3'	0.84368 (11)	0.36751 (10)	0.10580 (6)	0.0146 (2)
N4'	0.80664 (11)	0.27784 (10)	0.24374 (6)	0.0154 (2)
H02'	0.8068 (18)	0.2361 (17)	0.2788 (10)	0.026 (5)*
H01'	0.8381 (19)	0.2724 (17)	0.2073 (11)	0.032 (5)*
N5'	0.53703 (11)	0.35582 (9)	0.34781 (5)	0.01244 (19)
O1'	0.53653 (10)	0.55695 (8)	0.35774 (5)	0.01774 (19)
O2'	0.41688 (10)	0.39421 (8)	0.42515 (5)	0.01618 (18)
O1W	0.74945 (12)	0.84359 (11)	0.54810 (6)	0.0277 (2)
H03	0.721 (2)	0.779 (2)	0.5641 (12)	0.043 (6)*
H04	0.722 (3)	0.881 (2)	0.5691 (14)	0.059 (7)*
K1	0.49406 (3)	0.68951 (3)	0.45040 (2)	0.01683 (6)
K2	0.61675 (3)	0.18387 (2)	0.41184 (2)	0.01349 (6)
C91	0.80325 (13)	0.04442 (12)	0.39544 (7)	0.0162 (2)
H91	0.767210	0.011982	0.435682	0.019*
C92	0.90128 (15)	−0.08901 (13)	0.40894 (8)	0.0220 (3)
H92A	0.859007	−0.110674	0.449887	0.033*
H92B	0.996418	−0.057876	0.427120	0.033*
H92C	0.864741	−0.160831	0.373445	0.033*
C93	0.93416 (16)	0.04719 (14)	0.31230 (8)	0.0245 (3)
H93A	0.914558	0.111216	0.294568	0.037*
H93B	0.896673	−0.019652	0.273044	0.037*
H93C	1.029863	0.079505	0.327664	0.037*
N91	0.87702 (12)	0.00353 (10)	0.37388 (6)	0.0171 (2)
O91	0.77808 (10)	0.12169 (9)	0.36692 (5)	0.01859 (19)
C94	0.80107 (14)	0.47812 (13)	0.48372 (8)	0.0227 (3)
H94	0.776435	0.467817	0.431813	0.027*
C95	0.96954 (19)	0.68087 (16)	0.47527 (10)	0.0424 (5)
H95A	0.931121	0.654844	0.422790	0.064*
H95B	1.062670	0.701335	0.486721	0.064*
H95C	0.962128	0.752100	0.488784	0.064*
C96	0.9427 (3)	0.60669 (19)	0.59444 (10)	0.0733 (9)
H96A	1.030708	0.614032	0.610117	0.110*
H96B	0.880906	0.539661	0.615825	0.110*
H96C	0.945776	0.682111	0.610803	0.110*
N92	0.89949 (12)	0.58360 (10)	0.51602 (6)	0.0225 (2)
O92	0.73809 (10)	0.39159 (9)	0.51491 (5)	0.0222 (2)