x	y	z	Uiso*/Ueq
S1	0.33252 (11)	0.30710 (5)	0.35547 (4)	0.0214 (2)
C1	0.6277 (5)	0.5080 (2)	0.06062 (17)	0.0274 (6)
H1	0.5211	0.5545	0.0624	0.033*
C2	0.8011 (5)	0.5215 (2)	0.01485 (18)	0.0302 (7)
H2	0.8125	0.5775	−0.0130	0.036*
C3	0.9553 (5)	0.4542 (2)	0.00993 (16)	0.0244 (6)
O4	1.1258 (4)	0.46247 (17)	−0.03340 (14)	0.0334 (6)
H4O	1.141 (10)	0.520 (5)	−0.059 (3)	0.09 (2)*
C5	0.9393 (5)	0.3697 (2)	0.05103 (15)	0.0210 (6)
C6	1.0925 (5)	0.2980 (2)	0.04354 (16)	0.0256 (6)
H6	1.2085	0.3069	0.0117	0.031*
C7	1.0739 (5)	0.2162 (2)	0.08197 (17)	0.0308 (7)
H7	1.1746	0.1678	0.0755	0.037*
C8	0.9071 (6)	0.2033 (2)	0.13084 (17)	0.0299 (7)
H8	0.8977	0.1467	0.1581	0.036*
C9	0.7567 (5)	0.2716 (2)	0.13989 (16)	0.0246 (6)
H9	0.6458	0.2620	0.1738	0.029*
C10	0.7656 (4)	0.3566 (2)	0.09897 (14)	0.0192 (5)
C11	0.6085 (5)	0.4279 (2)	0.10353 (16)	0.0215 (6)
C12	0.4268 (5)	0.4151 (2)	0.15100 (15)	0.0220 (6)
H12A	0.4066	0.3563	0.1744	0.026*
N13	0.2939 (4)	0.48088 (17)	0.16192 (12)	0.0205 (5)
N14	0.1329 (4)	0.45700 (16)	0.20919 (13)	0.0202 (5)
H14	0.144 (7)	0.406 (2)	0.234 (2)	0.040 (11)*
C15	−0.0120 (4)	0.5212 (2)	0.22410 (14)	0.0182 (5)
N16	−0.0075 (4)	0.60276 (18)	0.19085 (14)	0.0249 (5)
H16B	−0.103 (5)	0.641 (2)	0.199 (2)	0.032 (10)*
H16A	0.084 (5)	0.614 (3)	0.1575 (18)	0.036 (11)*
C17	−0.3802 (5)	0.5843 (2)	0.28398 (18)	0.0253 (6)
H17A	−0.4311	0.5911	0.2337	0.038*
H17B	−0.3101	0.6423	0.2992	0.038*
H17C	−0.4990	0.5718	0.3166	0.038*
S2	−0.19735 (11)	0.48825 (5)	0.28856 (4)	0.0245 (2)
O11	0.3992 (4)	0.40352 (16)	0.36112 (13)	0.0348 (6)
O12	0.5287 (4)	0.2471 (2)	0.33653 (15)	0.0442 (7)
H12O	0.631 (8)	0.246 (4)	0.374 (3)	0.059 (14)*
O13	0.2455 (5)	0.2712 (2)	0.42322 (13)	0.0433 (7)
O14	0.1937 (4)	0.29015 (14)	0.29348 (11)	0.0278 (5)
O1W	0.8206 (4)	0.2244 (2)	0.42969 (13)	0.0385 (6)
H1WA	0.939 (6)	0.256 (4)	0.426 (3)	0.060 (16)*
H1WB	0.784 (8)	0.225 (3)	0.4750 (15)	0.061 (15)*