x	y	z	Uiso*/Ueq
S1	0.5000	0.37429 (14)	0.5000	0.0490 (3)
N1	0.56565 (9)	0.3213 (4)	0.1855 (3)	0.0471 (6)
C2	0.55195 (11)	0.5176 (5)	0.2189 (4)	0.0469 (7)
H2A	0.5608	0.6324	0.1445	0.056*
C3	0.52314 (10)	0.5774 (5)	0.3665 (4)	0.0449 (6)
C4	0.51313 (13)	0.7856 (5)	0.4229 (4)	0.0596 (8)
H4A	0.5225	0.9159	0.3665	0.072*
C5	0.59848 (11)	0.2933 (4)	0.0386 (4)	0.0484 (7)
H5A	0.5949	0.4291	−0.0354	0.058*
C6	0.57863 (13)	0.0963 (6)	−0.0754 (4)	0.0658 (8)
H6A	0.5416	0.1162	−0.1164	0.099*
H6B	0.5835	−0.0394	−0.0065	0.099*
H6C	0.5981	0.0861	−0.1759	0.099*
C7	0.65613 (11)	0.2719 (4)	0.1189 (3)	0.0441 (6)
C8	0.69277 (11)	0.4349 (4)	0.0871 (4)	0.0494 (7)
H8A	0.6817	0.5585	0.0168	0.059*
C9	0.74515 (11)	0.4171 (5)	0.1576 (4)	0.0571 (8)
H9A	0.7692	0.5278	0.1343	0.069*
C10	0.76215 (11)	0.2354 (6)	0.2628 (4)	0.0546 (7)
C11	0.72642 (12)	0.0745 (6)	0.2994 (4)	0.0593 (8)
H11A	0.7375	−0.0469	0.3722	0.071*
C12	0.67374 (12)	0.0936 (6)	0.2275 (4)	0.0551 (8)
H12A	0.6497	−0.0161	0.2528	0.066*
O1	0.81556 (9)	0.2307 (5)	0.3227 (3)	0.0781 (7)
C13	0.83539 (15)	0.0345 (9)	0.4189 (5)	0.1010 (15)
H13A	0.8734	0.0434	0.4432	0.152*
H13B	0.8257	−0.0970	0.3487	0.152*
H13C	0.8204	0.0258	0.5292	0.152*