x	y	z	Uiso*/Ueq
Mn1	0.500000	0.500000	0.000000	0.02947 (13)
O1	0.4809 (2)	0.39058 (6)	0.03322 (11)	0.0489 (4)
O1W	0.8075 (2)	0.50832 (7)	0.05836 (12)	0.0464 (3)
H1WA	0.848 (4)	0.5418 (9)	0.0964 (19)	0.070*
H1WB	0.879 (4)	0.4760 (9)	0.078 (2)	0.070*
O2	0.6022 (2)	0.36153 (7)	0.20147 (10)	0.0515 (4)
H2O	0.619 (6)	0.422 (2)	0.242 (3)	0.155 (15)*
O3	0.5562 (2)	0.13009 (7)	0.31842 (10)	0.0560 (4)
O4	0.4652 (2)	0.04466 (7)	0.21207 (11)	0.0545 (4)
O5	0.4355 (2)	0.52907 (8)	0.15374 (10)	0.0457 (3)
O6	0.6122 (2)	0.47449 (7)	0.29174 (10)	0.0483 (4)
O7	0.7667 (2)	0.59190 (8)	0.62838 (11)	0.0590 (4)
O8	0.6914 (2)	0.69874 (8)	0.65088 (11)	0.0612 (4)
N1	0.4964 (2)	0.10712 (7)	0.22733 (11)	0.0363 (3)
N2	0.3472 (2)	0.06488 (7)	0.00606 (12)	0.0431 (4)
H2A	0.302809	0.057204	−0.060340	0.052*
H2B	0.365807	0.034904	0.056060	0.052*
N3	0.6948 (2)	0.64740 (8)	0.59270 (12)	0.0410 (4)
N4	0.5654 (3)	0.77954 (8)	0.48424 (14)	0.0481 (4)
H4A	0.587279	0.778868	0.553450	0.058*
H4B	0.516269	0.814368	0.445160	0.058*
C1	0.4755 (2)	0.27328 (8)	0.08203 (13)	0.0297 (3)
C2	0.5071 (2)	0.22409 (8)	0.16193 (13)	0.0294 (3)
H2	0.557893	0.237429	0.231674	0.035*
C3	0.4636 (2)	0.15439 (8)	0.13907 (12)	0.0291 (3)
C4	0.3884 (2)	0.13131 (8)	0.03426 (12)	0.0298 (3)
C5	0.3551 (3)	0.18352 (9)	−0.04571 (13)	0.0351 (4)
H5	0.303735	0.170966	−0.115751	0.042*
C6	0.3963 (2)	0.25158 (9)	−0.02257 (13)	0.0333 (4)
H6	0.371609	0.284412	−0.076992	0.040*
C7	0.5212 (2)	0.34754 (8)	0.10562 (13)	0.0335 (4)
C8	0.5352 (2)	0.59261 (9)	0.31259 (13)	0.0330 (4)
C9	0.6043 (2)	0.59219 (9)	0.42108 (13)	0.0338 (4)
H9	0.643858	0.550494	0.455105	0.041*
C10	0.6160 (2)	0.65326 (9)	0.48065 (13)	0.0333 (4)
C11	0.5581 (2)	0.71818 (9)	0.43305 (15)	0.0358 (4)
C12	0.4899 (3)	0.71660 (9)	0.32115 (15)	0.0409 (4)
H12	0.453293	0.758055	0.285614	0.049*
C13	0.4760 (3)	0.65655 (10)	0.26390 (14)	0.0384 (4)
H13	0.426366	0.657803	0.190964	0.046*
C14	0.5253 (3)	0.52789 (9)	0.24730 (13)	0.0352 (4)
O2W	1.0872 (2)	0.40951 (8)	0.13520 (11)	0.0542 (4)
H2WA	1.119577	0.406931	0.203299	0.081*
H2WB	1.161577	0.433931	0.103999	0.081*