x	y	z	Uiso*/Ueq
C1	0.32522 (18)	−0.2480 (3)	0.92805 (8)	0.0469 (3)
H1A	0.4335	−0.3306	0.9380	0.056*
H1B	0.2355	−0.3573	0.9078	0.056*
C2	0.28685 (17)	−0.1421 (3)	1.00759 (9)	0.0421 (3)
C3	0.27501 (17)	−0.0905 (3)	1.14199 (9)	0.0419 (3)
C4	0.30208 (19)	−0.1344 (3)	1.22742 (9)	0.0508 (3)
H4	0.3569	−0.2685	1.2483	0.061*
C5	0.2453 (2)	0.0270 (3)	1.28049 (10)	0.0563 (4)
H5	0.2626	0.0001	1.3378	0.068*
C6	0.1634 (2)	0.2274 (4)	1.25053 (10)	0.0552 (4)
H6	0.1279	0.3328	1.2880	0.066*
C7	0.13337 (18)	0.2734 (3)	1.16584 (9)	0.0512 (3)
H7	0.0775	0.4074	1.1456	0.061*
C8	0.18981 (17)	0.1116 (3)	1.11172 (8)	0.0430 (3)
C9	0.3518 (2)	−0.1629 (3)	0.78314 (9)	0.0520 (4)
H9A	0.2734	−0.2916	0.7712	0.062*
H9B	0.4680	−0.2194	0.7827	0.062*
C10	0.31251 (18)	0.0167 (3)	0.71708 (9)	0.0440 (3)
C11	0.30569 (18)	0.1982 (3)	0.59715 (9)	0.0463 (3)
C12	0.3417 (2)	0.2449 (4)	0.51678 (10)	0.0589 (4)
H12	0.4135	0.1486	0.4912	0.071*
C13	0.2688 (2)	0.4370 (4)	0.47583 (10)	0.0628 (5)
H13	0.2930	0.4705	0.4224	0.075*
C14	0.1602 (2)	0.5812 (4)	0.51276 (11)	0.0617 (4)
H14	0.1131	0.7100	0.4840	0.074*
C15	0.1213 (2)	0.5352 (3)	0.59197 (11)	0.0571 (4)
H15	0.0482	0.6313	0.6168	0.069*
C16	0.19401 (18)	0.3417 (3)	0.63367 (9)	0.0449 (3)
N1	0.33530 (16)	−0.0701 (2)	0.86544 (8)	0.0462 (3)
H1	0.413 (2)	0.023 (3)	0.8796 (11)	0.055*
N2	0.32946 (14)	−0.2309 (2)	1.08061 (7)	0.0448 (3)
N3	0.37321 (16)	0.0144 (3)	0.64678 (8)	0.0499 (3)
S1	0.17864 (5)	0.12218 (6)	1.00381 (2)	0.04752 (10)
S2	0.17133 (5)	0.23922 (7)	0.73265 (2)	0.05010 (11)