x	y	z	Uiso*/Ueq
C1	1.01452 (18)	0.6909 (2)	0.10542 (17)	0.0405 (5)
C2	1.0352 (2)	0.5465 (3)	0.15075 (18)	0.0475 (6)
H2	1.1079	0.5208	0.2000	0.057*
C3	0.9452 (2)	0.4404 (3)	0.12122 (18)	0.0498 (6)
H3	0.9580	0.3433	0.1515	0.060*
C4	0.83654 (19)	0.4776 (3)	0.04718 (17)	0.0420 (5)
C5	0.8187 (2)	0.6221 (3)	0.00106 (19)	0.0507 (6)
H5	0.7467	0.6471	−0.0496	0.061*
C6	0.90665 (19)	0.7287 (3)	0.02969 (18)	0.0500 (6)
H6	0.8941	0.8253	−0.0013	0.060*
C7	0.7403 (2)	0.3652 (3)	0.01717 (18)	0.0479 (6)
H7	0.7518	0.2703	0.0503	0.058*
C8	0.5512 (2)	0.2885 (3)	−0.08472 (18)	0.0496 (6)
C9	0.5682 (2)	0.1309 (3)	−0.09320 (17)	0.0485 (6)
H9	0.6417	0.0912	−0.0765	0.058*
C10	0.4727 (2)	0.0354 (3)	−0.12720 (17)	0.0504 (6)
C11	0.3618 (2)	0.0891 (4)	−0.1524 (2)	0.0648 (8)
H11	0.2994	0.0217	−0.1736	0.078*
C12	0.3465 (2)	0.2452 (4)	−0.1451 (2)	0.0703 (8)
H12	0.2728	0.2841	−0.1621	0.084*
C13	0.4393 (2)	0.3445 (3)	−0.1129 (2)	0.0640 (7)
H13	0.4273	0.4499	−0.1099	0.077*
N1	0.64205 (17)	0.3974 (2)	−0.05349 (16)	0.0530 (5)
N2	0.4908 (2)	−0.1309 (3)	−0.13755 (16)	0.0634 (6)
O1	1.22903 (14)	0.7666 (2)	0.21956 (15)	0.0694 (6)
O2	1.13137 (15)	0.8930 (2)	0.05065 (14)	0.0609 (5)
C14	1.0752 (2)	0.9783 (3)	0.1990 (2)	0.0600 (7)
H14A	1.0613	0.9364	0.2552	0.090*
H14B	1.0048	1.0201	0.1486	0.090*
H14C	1.1320	1.0585	0.2238	0.090*
O4	0.5876 (2)	−0.1747 (2)	−0.12006 (19)	0.0886 (7)
O5	0.4073 (2)	−0.2168 (3)	−0.1646 (2)	0.1008 (8)
S1	1.12545 (5)	0.83166 (7)	0.14267 (5)	0.0477 (2)