x	y	z	Uiso*/Ueq
S1	0.49041 (5)	0.84948 (4)	0.358654 (17)	0.01248 (14)
O1	0.55419 (15)	0.74172 (13)	0.38508 (5)	0.0195 (3)
O2	0.56209 (14)	0.88382 (13)	0.31102 (5)	0.0163 (3)
O3	0.34727 (14)	0.83294 (13)	0.35029 (5)	0.0190 (3)
O4	0.40223 (14)	0.52637 (13)	0.30853 (5)	0.0171 (3)
O5	0.51261 (16)	0.49339 (13)	0.38301 (5)	0.0199 (3)
H5O	0.510 (3)	0.5747 (10)	0.3841 (10)	0.034 (7)*
O6	0.20627 (14)	0.17528 (13)	0.21695 (5)	0.0176 (3)
O7	0.29656 (14)	−0.02406 (13)	0.22217 (5)	0.0163 (3)
H7O	0.229 (2)	−0.047 (3)	0.2048 (10)	0.051 (9)*
N1	0.37466 (17)	0.27383 (15)	0.28845 (6)	0.0129 (3)
H1N1	0.402 (3)	0.316 (2)	0.2610 (7)	0.031 (7)*
H1N2	0.2899 (11)	0.296 (2)	0.2924 (8)	0.014 (5)*
C1	0.50864 (19)	0.98391 (18)	0.40013 (7)	0.0141 (4)
C2	0.3995 (2)	1.02980 (19)	0.42797 (8)	0.0187 (4)
H2	0.3146	0.9879	0.4256	0.022*
C3	0.4152 (2)	1.1376 (2)	0.45941 (8)	0.0212 (4)
H3	0.3404	1.1681	0.4788	0.025*
C4	0.5374 (2)	1.20164 (19)	0.46306 (7)	0.0183 (4)
C5	0.6471 (2)	1.15329 (19)	0.43556 (8)	0.0191 (4)
H5	0.7319	1.1952	0.4380	0.023*
C6	0.6335 (2)	1.04440 (19)	0.40462 (7)	0.0171 (4)
H6	0.7093	1.0112	0.3866	0.021*
C7	0.5517 (2)	1.3217 (2)	0.49545 (8)	0.0247 (5)
H7A	0.4636	1.3631	0.4993	0.037*
H7B	0.6142	1.3815	0.4785	0.037*
H7C	0.5868	1.2985	0.5296	0.037*
C8	0.45172 (19)	0.45546 (18)	0.34029 (7)	0.0137 (4)
C9	0.45326 (19)	0.31071 (18)	0.33494 (7)	0.0137 (4)
H9A	0.5472	0.2798	0.3315	0.016*
H9B	0.4132	0.2705	0.3660	0.016*
C10	0.3811 (2)	0.13288 (17)	0.27813 (7)	0.0142 (4)
H10A	0.3570	0.0845	0.3098	0.017*
H10B	0.4738	0.1085	0.2680	0.017*
C11	0.28461 (19)	0.09925 (18)	0.23534 (7)	0.0132 (4)