x	y	z	Uiso*/Ueq
C1	0.42086 (19)	0.44662 (10)	0.48435 (10)	0.0278
C2	0.4623 (2)	0.51157 (10)	0.54678 (9)	0.0290
C3	0.3411 (2)	0.51009 (11)	0.60972 (9)	0.0293
C4	0.1802 (2)	0.52268 (11)	0.57752 (9)	0.0272
C5	0.15111 (19)	0.45186 (11)	0.51798 (10)	0.0276
C6	−0.0057 (2)	0.45811 (11)	0.48018 (11)	0.0333
O1	0.26620 (14)	0.45701 (8)	0.45874 (7)	0.0279
S1	0.46552 (6)	0.33607 (3)	0.51937 (3)	0.0339
C7	0.4854 (2)	0.27972 (11)	0.43134 (10)	0.0306
C8	0.3607 (2)	0.23433 (13)	0.40015 (12)	0.0390
C9	0.3778 (2)	0.19047 (13)	0.33162 (13)	0.0415
C10	0.5189 (2)	0.19112 (11)	0.29336 (10)	0.0336
C11	0.6441 (2)	0.23463 (12)	0.32488 (10)	0.0329
C12	0.6267 (2)	0.27925 (12)	0.39370 (11)	0.0317
O2	0.52304 (19)	0.14679 (9)	0.22609 (8)	0.0434
C13	0.6652 (3)	0.14715 (16)	0.18392 (12)	0.0527
O3	0.46128 (15)	0.59743 (7)	0.51222 (7)	0.0317
C14	0.5794 (2)	0.65171 (13)	0.52960 (12)	0.0401
O4	0.6831 (2)	0.63201 (11)	0.57186 (12)	0.0741
C15	0.5639 (3)	0.73699 (13)	0.48905 (13)	0.0471
O5	0.36891 (17)	0.58054 (9)	0.66273 (7)	0.0383
C16	0.4478 (3)	0.56208 (15)	0.72635 (11)	0.0448
O6	0.5010 (3)	0.49096 (12)	0.73892 (11)	0.0767
C17	0.4616 (4)	0.6411 (2)	0.77608 (14)	0.0696
O7	0.06770 (15)	0.50827 (8)	0.63709 (7)	0.0334
C18	0.0046 (2)	0.58014 (12)	0.67193 (10)	0.0374
O8	0.04098 (19)	0.65349 (8)	0.65627 (8)	0.0466
C19	−0.1121 (3)	0.55302 (15)	0.72963 (15)	0.0595
O9	−0.01388 (15)	0.54017 (8)	0.43982 (7)	0.0341
C20	−0.1484 (2)	0.55419 (14)	0.40247 (11)	0.0378
O10	−0.25415 (18)	0.50261 (13)	0.40449 (10)	0.0578
C21	−0.1459 (3)	0.63787 (15)	0.35898 (12)	0.0476
H11	0.4895	0.4569	0.4405	0.0329*
H21	0.5668	0.4991	0.5672	0.0352*
H31	0.3454	0.4533	0.6367	0.0357*
H41	0.1694	0.5812	0.5567	0.0321*
H51	0.1563	0.3935	0.5428	0.0332*
H61	−0.0883	0.4553	0.5182	0.0412*
H62	−0.0189	0.4084	0.4439	0.0426*
H81	0.2625	0.2331	0.4264	0.0476*
H91	0.2901	0.1590	0.3105	0.0504*
H111	0.7447	0.2344	0.2983	0.0390*
H121	0.7146	0.3117	0.4155	0.0391*
H131	0.6468	0.1130	0.1371	0.0801*
H132	0.7494	0.1231	0.2157	0.0787*
H133	0.6895	0.2084	0.1693	0.0802*
H152	0.6314	0.7806	0.5124	0.0710*
H151	0.4574	0.7570	0.4924	0.0705*
H153	0.5884	0.7284	0.4351	0.0710*
H172	0.5416	0.6301	0.8131	0.1035*
H171	0.3633	0.6515	0.7991	0.1058*
H173	0.4931	0.6909	0.7446	0.1044*
H192	−0.1471	0.6041	0.7564	0.0883*
H191	−0.0655	0.5113	0.7647	0.0876*
H193	−0.2004	0.5241	0.7047	0.0882*
H212	−0.2487	0.6498	0.3385	0.0716*
H211	−0.1161	0.6835	0.3930	0.0723*
H213	−0.0724	0.6340	0.3170	0.0725*