x	y	z	Uiso*/Ueq	Occ. (<1)
S1	0.56160 (7)	0.15893 (6)	0.37164 (4)	0.04016 (19)
S2	0.56697 (9)	0.18955 (7)	0.58112 (5)	0.0511 (2)
O1	0.72651 (18)	0.43251 (15)	0.78717 (10)	0.0330 (3)
O2	0.7995 (2)	0.57769 (18)	0.48360 (11)	0.0438 (4)
N1	0.8356 (2)	0.63699 (19)	0.78887 (13)	0.0328 (4)
N2	0.8911 (2)	0.74382 (19)	0.72761 (13)	0.0360 (4)
N3	0.6887 (2)	0.4151 (2)	0.59251 (13)	0.0346 (4)
H3A	0.6652	0.3916	0.6546	0.042*
N4	0.6649 (2)	0.3756 (2)	0.44130 (13)	0.0357 (4)
H4A	0.7085	0.4522	0.4261	0.043*
N5	0.6442 (3)	0.3835 (2)	0.28420 (14)	0.0439 (5)
N6	0.6035 (3)	0.3101 (2)	0.21699 (14)	0.0480 (5)
C1	0.9603 (3)	0.6775 (3)	0.91597 (18)	0.0408 (5)
H1A	1.0540	0.7037	0.8681	0.049*
C2	0.9530 (3)	0.6782 (3)	1.01344 (19)	0.0467 (6)
H2B	1.0420	0.7061	1.0326	0.056*
C3	0.8177 (3)	0.6388 (3)	1.08327 (18)	0.0452 (6)
H3B	0.8146	0.6389	1.1500	0.054*
C4	0.6870 (3)	0.5994 (3)	1.05608 (17)	0.0418 (6)
H4B	0.5946	0.5714	1.1041	0.050*
C5	0.6905 (3)	0.6005 (2)	0.95854 (16)	0.0364 (5)
H5B	0.5996	0.5761	0.9395	0.044*
C6	0.8294 (3)	0.6380 (2)	0.88941 (16)	0.0336 (5)
C7	0.9194 (3)	0.8149 (3)	0.55833 (18)	0.0433 (6)
H7A	0.9635	0.8908	0.5786	0.065*
H7B	0.8206	0.8502	0.5366	0.065*
H7C	1.0040	0.7683	0.5050	0.065*
C8	0.8741 (3)	0.7167 (2)	0.64179 (16)	0.0354 (5)
C9	0.8061 (3)	0.5921 (2)	0.64604 (15)	0.0325 (5)
C10	0.7862 (3)	0.5469 (2)	0.74127 (16)	0.0320 (5)
C11	0.8364 (3)	0.3093 (2)	0.77255 (14)	0.0283 (4)
C12	0.7675 (3)	0.1955 (3)	0.81626 (19)	0.0417 (6)
H12A	0.6567	0.2036	0.8563	0.050*
C13	0.8630 (3)	0.0697 (3)	0.8006 (2)	0.0516 (7)
H13A	0.8178	−0.0100	0.8302	0.062*
C14	1.0242 (3)	0.0589 (3)	0.7422 (2)	0.0530 (7)
H14A	1.0888	−0.0282	0.7308	0.064*
C15	1.0906 (3)	0.1736 (3)	0.70074 (19)	0.0473 (6)
H15A	1.2016	0.1657	0.6609	0.057*
C16	0.9973 (3)	0.3014 (3)	0.71634 (16)	0.0370 (5)
H16A	1.0438	0.3814	0.6887	0.044*
C17	0.7669 (3)	0.5307 (2)	0.56726 (16)	0.0329 (5)
C18	0.6421 (3)	0.3310 (2)	0.53439 (16)	0.0335 (5)
C19	0.6281 (3)	0.3158 (2)	0.36680 (16)	0.0351 (5)
C20	0.5602 (3)	0.1932 (3)	0.25151 (17)	0.0428 (6)
C21	0.5096 (4)	0.0933 (3)	0.1944 (2)	0.0555 (7)
H21A	0.4153	0.0522	0.2383	0.067*
H21B	0.4675	0.1455	0.1428	0.067*
C22	0.6339 (5)	−0.0172 (4)	0.1491 (3)	0.0465 (11)	0.639 (5)
H22A	0.5827	−0.0767	0.1163	0.056*	0.639 (5)
H22B	0.6754	−0.0730	0.1995	0.056*	0.639 (5)
C23	0.7787 (7)	0.0383 (5)	0.0753 (3)	0.0568 (13)	0.639 (5)
H23A	0.8616	−0.0378	0.0465	0.085*	0.639 (5)
H23B	0.8293	0.0972	0.1077	0.085*	0.639 (5)
H23C	0.7381	0.0912	0.0243	0.085*	0.639 (5)
C22'	0.6510 (12)	0.0828 (9)	0.0931 (5)	0.053 (2)	0.361 (5)
H22C	0.6563	0.1730	0.0591	0.064*	0.361 (5)
H22D	0.7611	0.0490	0.1038	0.064*	0.361 (5)
C23'	0.6019 (12)	−0.0149 (10)	0.0362 (6)	0.064 (3)	0.361 (5)
H23D	0.6845	−0.0268	−0.0267	0.096*	0.361 (5)
H23E	0.4931	0.0205	0.0260	0.096*	0.361 (5)
H23F	0.5954	−0.1029	0.0715	0.096*	0.361 (5)