x	y	z	Uiso*/Ueq
S1	0.73380 (5)	0.59495 (2)	0.83763 (5)	0.02575 (15)
O1	0.84106 (14)	0.45171 (6)	0.46089 (17)	0.0294 (3)
N1	0.79198 (16)	0.69625 (7)	0.70367 (18)	0.0233 (4)
C1	0.67303 (19)	0.48654 (9)	0.5941 (2)	0.0230 (4)
O2	0.56944 (16)	0.31027 (7)	0.6733 (2)	0.0401 (4)
N2	0.78786 (18)	0.70133 (8)	0.95934 (19)	0.0288 (4)
H2A	0.8067	0.7398	0.9591	0.035*
H2B	0.7766	0.6828	1.0435	0.035*
C2	0.73882 (19)	0.43671 (9)	0.5382 (2)	0.0247 (4)
O3	0.15908 (16)	0.72923 (7)	1.04700 (19)	0.0379 (4)
C3	0.7014 (2)	0.37874 (9)	0.5646 (2)	0.0287 (5)
H3	0.7459	0.3457	0.5260	0.034*
O4	0.79309 (15)	0.66720 (6)	0.46217 (15)	0.0276 (3)
C4	0.5968 (2)	0.36913 (9)	0.6495 (2)	0.0285 (5)
C5	0.5283 (2)	0.41643 (9)	0.7024 (2)	0.0254 (4)
H5	0.4560	0.4090	0.7571	0.031*
C6	0.56614 (19)	0.47574 (9)	0.6748 (2)	0.0227 (4)
C7	0.49002 (19)	0.52638 (9)	0.7237 (2)	0.0230 (4)
H7	0.4958	0.5629	0.6702	0.028*
C8	0.41358 (19)	0.52599 (9)	0.8360 (2)	0.0252 (4)
H8	0.4032	0.4890	0.8861	0.030*
C9	0.34427 (19)	0.57835 (9)	0.8881 (2)	0.0249 (4)
C10	0.2585 (2)	0.57198 (10)	0.9977 (2)	0.0280 (5)
H10	0.2434	0.5330	1.0359	0.034*
C11	0.1938 (2)	0.62079 (10)	1.0535 (2)	0.0296 (5)
H11	0.1356	0.6150	1.1283	0.036*
C12	0.2153 (2)	0.67762 (10)	0.9992 (2)	0.0296 (5)
C13	0.2998 (2)	0.68532 (10)	0.8890 (3)	0.0363 (5)
H13	0.3138	0.7243	0.8502	0.044*
C14	0.3634 (2)	0.63662 (10)	0.8357 (3)	0.0325 (5)
H14	0.4219	0.6428	0.7614	0.039*
C15	0.71662 (18)	0.54678 (9)	0.5548 (2)	0.0223 (4)
H15	0.7306	0.5531	0.4533	0.027*
C16	0.73910 (19)	0.59395 (9)	0.6445 (2)	0.0224 (4)
C17	0.77662 (18)	0.65520 (9)	0.5932 (2)	0.0218 (4)
C18	0.77655 (19)	0.67159 (9)	0.8345 (2)	0.0227 (4)
C19	0.9131 (2)	0.40406 (10)	0.4010 (3)	0.0352 (5)
H19A	0.9469	0.3783	0.4815	0.053*
H19B	0.9829	0.4211	0.3480	0.053*
H19C	0.8590	0.3802	0.3326	0.053*
C20	0.4740 (2)	0.29656 (11)	0.7742 (3)	0.0427 (6)
H20A	0.4925	0.3177	0.8678	0.064*
H20B	0.4726	0.2531	0.7921	0.064*
H20C	0.3917	0.3095	0.7316	0.064*
C21	0.0789 (2)	0.72365 (12)	1.1677 (3)	0.0387 (6)
H21A	0.0098	0.6959	1.1407	0.058*
H21B	0.0443	0.7631	1.1909	0.058*
H21C	0.1276	0.7081	1.2543	0.058*
O1S	0.80228 (17)	0.61397 (7)	0.19308 (17)	0.0374 (4)
H1S	0.7956	0.6277	0.2787	0.056*
C1S	0.8883 (2)	0.56477 (11)	0.1984 (3)	0.0355 (5)
H1S1	0.9573	0.5731	0.2717	0.053*
H1S2	0.9226	0.5593	0.1009	0.053*
H1S3	0.8442	0.5281	0.2262	0.053*