x	y	z	Uiso*/Ueq
S1	0.94569 (4)	0.65520 (3)	0.70419 (3)	0.03607 (12)
S2	0.21697 (5)	0.53839 (3)	0.15747 (3)	0.03835 (13)
O1	0.71887 (12)	0.56299 (8)	0.65599 (8)	0.0371 (3)
O2	0.53812 (13)	0.61502 (8)	0.50454 (8)	0.0407 (3)
O3	0.37291 (13)	0.62655 (7)	0.28811 (7)	0.0358 (3)
O4	0.30217 (13)	0.78901 (8)	0.29306 (9)	0.0462 (3)
N1	0.69842 (14)	0.70886 (9)	0.66837 (9)	0.0310 (3)
N2	0.34408 (15)	0.59934 (9)	0.51009 (9)	0.0344 (3)
N3	0.38648 (14)	0.66403 (9)	0.17928 (8)	0.0310 (3)
N4	0.52868 (15)	0.83502 (9)	0.36531 (10)	0.0402 (4)
C1	0.92417 (17)	0.76410 (11)	0.71071 (10)	0.0289 (4)
C2	1.02172 (17)	0.82906 (12)	0.73152 (10)	0.0338 (4)
H2	1.1156	0.8173	0.7462	0.041*
C3	0.97758 (19)	0.91139 (12)	0.73012 (11)	0.0366 (4)
H3	1.0418	0.9572	0.7434	0.044*
C4	0.84079 (19)	0.92827 (12)	0.70967 (11)	0.0376 (4)
H4	0.8133	0.9855	0.7096	0.045*
C5	0.74394 (18)	0.86369 (11)	0.68950 (11)	0.0356 (4)
H5	0.6508	0.8760	0.6759	0.043*
C6	0.78526 (17)	0.78025 (11)	0.68938 (10)	0.0285 (4)
C7	0.76859 (17)	0.64308 (11)	0.67289 (10)	0.0304 (4)
C8	0.57044 (18)	0.55577 (11)	0.62402 (11)	0.0349 (4)
H8A	0.5481	0.5861	0.6593	0.042*
H8B	0.5454	0.4950	0.6223	0.042*
C9	0.48359 (18)	0.59301 (10)	0.54072 (10)	0.0311 (4)
C10	0.2484 (2)	0.62796 (14)	0.42757 (11)	0.0465 (5)
H10A	0.3006	0.6636	0.4118	0.070*
H10B	0.1710	0.6610	0.4235	0.070*
H10C	0.2095	0.5784	0.3922	0.070*
C11	0.27959 (17)	0.56221 (11)	0.54862 (10)	0.0324 (4)
C12	0.2600 (2)	0.61034 (13)	0.59977 (12)	0.0417 (4)
H12	0.2915	0.6677	0.6111	0.050*
C13	0.1940 (2)	0.57392 (16)	0.63416 (13)	0.0555 (6)
H13	0.1807	0.6063	0.6698	0.067*
C14	0.1474 (2)	0.49112 (16)	0.61706 (14)	0.0575 (6)
H14	0.1009	0.4668	0.6404	0.069*
C15	0.1676 (2)	0.44331 (14)	0.56647 (14)	0.0540 (6)
H15	0.1361	0.3859	0.5553	0.065*
C16	0.2339 (2)	0.47876 (12)	0.53191 (12)	0.0423 (5)
H16	0.2481	0.4460	0.4968	0.051*
C17	0.23107 (18)	0.56733 (11)	0.07802 (11)	0.0351 (4)
C18	0.1640 (2)	0.53245 (13)	0.00209 (13)	0.0489 (5)
H18	0.1012	0.4856	−0.0126	0.059*
C19	0.1912 (2)	0.56794 (16)	−0.05143 (14)	0.0589 (6)
H19	0.1450	0.5458	−0.1041	0.071*
C20	0.2847 (3)	0.63537 (15)	−0.02975 (13)	0.0555 (6)
H20	0.3015	0.6584	−0.0679	0.067*
C21	0.3540 (2)	0.66979 (13)	0.04629 (12)	0.0431 (5)
H21	0.4188	0.7155	0.0610	0.052*
C22	0.32599 (18)	0.63536 (11)	0.10061 (11)	0.0323 (4)
C23	0.33790 (17)	0.61924 (10)	0.21272 (10)	0.0300 (4)
C24	0.48587 (18)	0.68520 (11)	0.33700 (11)	0.0337 (4)
H24A	0.5552	0.6842	0.3211	0.040*
H24B	0.5352	0.6675	0.3937	0.040*
C25	0.42889 (18)	0.77450 (11)	0.32799 (11)	0.0335 (4)
C26	0.4871 (2)	0.92358 (13)	0.36470 (17)	0.0638 (7)
H26A	0.4925	0.9557	0.3244	0.096*
H26B	0.5510	0.9490	0.4174	0.096*
H26C	0.3899	0.9252	0.3519	0.096*
C27	0.67722 (18)	0.81716 (11)	0.40232 (11)	0.0333 (4)
C28	0.73303 (19)	0.81424 (12)	0.35549 (12)	0.0387 (4)
H28	0.6737	0.8235	0.2995	0.046*
C29	0.87550 (19)	0.79774 (12)	0.39043 (12)	0.0416 (5)
H29	0.9141	0.7954	0.3584	0.050*
C30	0.9613 (2)	0.78468 (12)	0.47130 (13)	0.0432 (5)
H30	1.0592	0.7737	0.4953	0.052*
C31	0.9050 (2)	0.78758 (14)	0.51738 (13)	0.0495 (5)
H31	0.9646	0.7783	0.5733	0.059*
C32	0.7627 (2)	0.80379 (13)	0.48354 (12)	0.0455 (5)
H32	0.7245	0.8057	0.5158	0.055*