x	y	z	Uiso*/Ueq
Ni1	0.10943 (3)	0.058524 (19)	0.446648 (17)	0.02363 (12)
O5W	−0.0374 (2)	0.16474 (12)	0.44545 (10)	0.0326 (4)
H5WA	−0.0848	0.1645	0.4884	0.049*
O1	0.04736 (19)	0.03393 (11)	0.56593 (9)	0.0264 (4)
N1	0.0998 (2)	0.05336 (12)	0.31986 (12)	0.0250 (5)
C8	−0.0750 (3)	−0.05668 (14)	0.35675 (14)	0.0232 (5)
C9	0.0015 (3)	−0.00829 (15)	0.29298 (13)	0.0231 (5)
C4	−0.0248 (3)	−0.02414 (16)	0.20803 (13)	0.0251 (5)
C2	0.1498 (3)	0.09088 (18)	0.17944 (15)	0.0338 (6)
H2A	0.2007	0.1263	0.1423	0.041*
C3	0.0542 (3)	0.02903 (17)	0.15126 (14)	0.0300 (6)
H3B	0.0406	0.0216	0.0947	0.036*
C5	−0.1275 (3)	−0.09119 (16)	0.18792 (14)	0.0256 (5)
C1	0.1711 (3)	0.10083 (16)	0.26430 (15)	0.0311 (6)
H1B	0.2383	0.1426	0.2826	0.037*
C6	−0.1969 (3)	−0.13796 (16)	0.24900 (15)	0.0310 (6)
H6A	−0.2631	−0.1819	0.2342	0.037*
C7	−0.1711 (3)	−0.12159 (15)	0.33312 (15)	0.0314 (6)
H7A	−0.2193	−0.1549	0.3731	0.038*
O6W	0.2752 (2)	0.14637 (13)	0.45841 (13)	0.0415 (5)
H6WA	0.2501	0.1948	0.4401	0.062*
H5WB	−0.011 (3)	0.2155 (12)	0.4428 (14)	0.029 (7)*
H6WB	0.347 (3)	0.134 (2)	0.4814 (19)	0.060 (11)*
S1	−0.16782 (7)	−0.11580 (4)	0.08365 (4)	0.02460 (16)
O2	−0.21464 (19)	−0.03403 (11)	0.04239 (9)	0.0293 (4)
O4	−0.03579 (19)	−0.15043 (12)	0.04607 (10)	0.0352 (4)
O3	−0.28431 (19)	−0.18166 (11)	0.08585 (10)	0.0313 (4)