x	y	z	Uiso*/Ueq
C12	0.5032 (2)	−0.1953 (2)	0.3563 (2)	0.0345 (4)
H12A	0.6301	−0.1042	0.4309	0.052*
H12B	0.5165	−0.2971	0.3036	0.052*
H12C	0.4356	−0.2199	0.4166	0.052*
C11	0.1912 (2)	−0.26338 (16)	0.10998 (17)	0.0243 (3)
H11A	0.1070	−0.2506	0.1562	0.036*
H11B	0.1842	−0.3793	0.0828	0.036*
H11C	0.1508	−0.2401	0.0118	0.036*
S1	0.33739 (4)	0.28903 (4)	0.00401 (4)	0.02014 (10)
O	0.96910 (14)	0.95385 (12)	0.83590 (11)	0.0206 (2)
H0	1.063 (3)	1.046 (2)	0.864 (2)	0.031*
N2	0.37419 (16)	0.05734 (13)	0.12372 (13)	0.0170 (2)
H2	0.254 (2)	0.024 (2)	0.0853 (19)	0.020*
N1	0.65479 (15)	0.27673 (13)	0.21157 (13)	0.0163 (2)
H1	0.701 (2)	0.225 (2)	0.2663 (19)	0.020*
N3	0.47907 (15)	0.00499 (14)	0.23774 (13)	0.0194 (2)
C6	0.79084 (18)	0.67223 (16)	0.64146 (15)	0.0173 (2)
H6	0.7308	0.6484	0.7038	0.021*
C3	0.77639 (18)	0.44581 (15)	0.24342 (15)	0.0171 (2)
H3A	0.7100	0.4789	0.1551	0.021*
H3B	0.8951	0.4438	0.2427	0.021*
C1	0.46524 (17)	0.20611 (15)	0.12097 (14)	0.0147 (2)
C4	0.82883 (17)	0.57817 (15)	0.40388 (14)	0.0148 (2)
C7	0.92864 (17)	0.83296 (15)	0.69457 (14)	0.0158 (2)
C9	0.96926 (17)	0.73918 (15)	0.46107 (15)	0.0170 (2)
H9	1.0319	0.7622	0.4003	0.020*
C8	1.01956 (17)	0.86683 (15)	0.60508 (15)	0.0164 (2)
H8	1.1150	0.9760	0.6419	0.020*
C5	0.74164 (17)	0.54680 (15)	0.49646 (15)	0.0162 (2)
H5	0.6466	0.4376	0.4600	0.019*
C10	0.39253 (19)	−0.14134 (17)	0.23078 (16)	0.0197 (3)