x	y	z	Uiso*/Ueq	Occ. (<1)
S1	0.57619 (4)	0.26397 (3)	0.86910 (3)	0.01947 (7)
C2	0.56817 (13)	0.15226 (11)	0.72845 (10)	0.01492 (19)
N3	0.46391 (11)	0.03031 (9)	0.70990 (9)	0.01448 (17)
C3A	0.38014 (13)	0.01774 (11)	0.81106 (10)	0.01466 (19)
C4	0.25456 (14)	−0.09823 (12)	0.81811 (11)	0.0185 (2)
H4	0.2221	−0.1782	0.7522	0.022*
C5	0.17867 (14)	−0.09401 (13)	0.92308 (12)	0.0223 (2)
H5	0.0920	−0.1714	0.9287	0.027*
C6	0.22767 (15)	0.02293 (14)	1.02157 (11)	0.0238 (2)
H6	0.1749	0.0225	1.0934	0.029*
C7	0.35125 (15)	0.13868 (13)	1.01602 (11)	0.0223 (2)
H7	0.3840	0.2178	1.0827	0.027*
C7A	0.42644 (13)	0.13542 (12)	0.90892 (10)	0.0170 (2)
C8	0.66708 (13)	0.20010 (12)	0.63115 (11)	0.0172 (2)
H8A	0.6814	0.1169	0.5740	0.021*
H8B	0.7784	0.2573	0.6723	0.021*
C9	0.57197 (12)	0.28914 (11)	0.55711 (10)	0.01401 (19)
N1	0.50433 (11)	0.22734 (9)	0.43761 (9)	0.01544 (17)
H01	0.519 (2)	0.1475 (18)	0.4007 (15)	0.027 (4)*
N2	0.40574 (11)	0.29335 (10)	0.35950 (9)	0.01529 (17)
H02	0.434 (2)	0.3829 (18)	0.3759 (15)	0.029 (4)*
O1	0.12667 (11)	0.31786 (9)	0.27597 (8)	0.02335 (18)
S2	0.20281 (3)	0.23646 (3)	0.35718 (2)	0.01622 (7)
O2	0.16863 (11)	0.08446 (8)	0.32664 (8)	0.02168 (17)
O3	0.55748 (10)	0.40588 (8)	0.60522 (8)	0.01870 (16)
C11	0.16430 (13)	0.28095 (11)	0.51069 (11)	0.0163 (2)
C12	0.15942 (14)	0.42100 (12)	0.55429 (12)	0.0203 (2)
H12	0.1721	0.4901	0.5007	0.024*
C13	0.13587 (15)	0.45785 (12)	0.67661 (12)	0.0233 (2)
H13	0.1329	0.5532	0.7069	0.028*
C14	0.11639 (14)	0.35757 (13)	0.75641 (11)	0.0208 (2)
C15	0.11840 (13)	0.21746 (12)	0.71012 (11)	0.0196 (2)
H15	0.1023	0.1477	0.7628	0.023*
C16	0.14367 (13)	0.17876 (11)	0.58797 (11)	0.0176 (2)
H16	0.1468	0.0835	0.5575	0.021*
C17	0.09014 (19)	0.39948 (16)	0.88922 (13)	0.0327 (3)
H17A	0.0428	0.4838	0.8946	0.049*	0.50
H17B	0.1969	0.4207	0.9468	0.049*	0.50
H17C	0.0137	0.3212	0.9127	0.049*	0.50
H17D	0.1261	0.3334	0.9415	0.049*	0.50
H17E	−0.0280	0.3964	0.8893	0.049*	0.50
H17F	0.1552	0.4960	0.9233	0.049*	0.50