x	y	z	Uiso*/Ueq
S1	0.13465 (2)	0.49165 (2)	0.34350 (2)	0.01451 (4)
C2	0.24674 (4)	0.47726 (4)	0.28209 (8)	0.01188 (8)
N3	0.31247 (3)	0.52002 (3)	0.41668 (7)	0.01347 (7)
C3A	0.27752 (4)	0.56826 (4)	0.57771 (8)	0.01360 (8)
C4	0.33134 (4)	0.62033 (4)	0.74630 (9)	0.01695 (9)
H4	0.396755	0.623486	0.758537	0.020*
C5	0.28692 (5)	0.66707 (4)	0.89466 (9)	0.01963 (10)
H5	0.322334	0.703577	1.008219	0.024*
C6	0.19042 (5)	0.66133 (5)	0.87976 (10)	0.02095 (11)
H6	0.161650	0.694472	0.982862	0.025*
C7	0.13610 (5)	0.60805 (4)	0.71696 (10)	0.01924 (10)
H7	0.071002	0.603042	0.709129	0.023*
C7A	0.18087 (4)	0.56196 (4)	0.56475 (9)	0.01468 (8)
C11	0.26660 (3)	0.42388 (3)	0.09270 (8)	0.01131 (7)
C12	0.19879 (3)	0.37320 (4)	−0.05164 (8)	0.01179 (8)
C13	0.22303 (4)	0.32478 (4)	−0.22766 (8)	0.01295 (8)
H13	0.177114	0.290066	−0.323243	0.016*
C14	0.31402 (4)	0.32648 (4)	−0.26592 (8)	0.01283 (8)
H14	0.329903	0.293120	−0.386674	0.015*
C15	0.38132 (3)	0.37743 (4)	−0.12577 (8)	0.01215 (8)
C16	0.35765 (4)	0.42522 (4)	0.05254 (8)	0.01240 (8)
H16	0.404004	0.459248	0.148423	0.015*
O1	0.11061 (3)	0.37347 (3)	−0.00594 (7)	0.01587 (7)
C17	0.04056 (4)	0.32676 (5)	−0.15693 (10)	0.01998 (10)
H17A	0.036645	0.356648	−0.300050	0.030*
H17B	−0.019153	0.333071	−0.108453	0.030*
H17C	0.056005	0.258430	−0.166186	0.030*
O2	0.47191 (3)	0.38509 (3)	−0.15047 (7)	0.01691 (8)
C18	0.49545 (4)	0.34434 (5)	−0.34295 (10)	0.01952 (10)
H18A	0.454902	0.371139	−0.470203	0.029*
H18B	0.487554	0.274329	−0.340465	0.029*
H18C	0.560067	0.359596	−0.350301	0.029*