x	y	z	Uiso*/Ueq
Cl1	0.26233 (5)	0.45517 (3)	0.68584 (3)	0.01279 (8)
O2	0.63481 (17)	0.90937 (9)	0.68369 (9)	0.0169 (2)
O1	0.43456 (17)	0.69839 (9)	1.18096 (9)	0.0162 (2)
O1W	0.07015 (18)	0.82478 (9)	0.34641 (9)	0.0165 (2)
H12W	−0.008 (3)	0.7497 (11)	0.3437 (15)	0.025*
H11W	0.177 (2)	0.8037 (15)	0.2947 (14)	0.025*
O3	0.40595 (16)	0.69671 (9)	0.58151 (9)	0.01381 (19)
O2W	0.7642 (2)	0.02475 (10)	0.39042 (10)	0.0255 (2)
H22W	0.832 (3)	−0.0447 (13)	0.3609 (15)	0.038*
H21W	0.807 (3)	0.0653 (16)	0.4715 (9)	0.038*
N1	0.7923 (2)	0.58230 (10)	0.62048 (11)	0.0113 (2)
C5	0.8819 (2)	0.66936 (12)	0.94214 (12)	0.0130 (2)
H5	1.0026	0.6179	0.9052	0.016*
C6	0.7489 (2)	0.64160 (12)	1.03283 (12)	0.0135 (2)
H6	0.7796	0.572	1.0558	0.016*
C1	0.6041 (2)	0.77693 (12)	0.63928 (12)	0.0107 (2)
C7	0.5693 (2)	0.71907 (12)	1.08898 (12)	0.0116 (2)
C3	0.9865 (2)	0.80241 (12)	0.80762 (12)	0.0121 (2)
H3A	1.1505	0.7748	0.8117	0.015*
H3B	1.0206	0.8997	0.8337	0.015*
C9	0.6553 (2)	0.84770 (12)	0.96215 (12)	0.0122 (2)
H9	0.6224	0.9165	0.9384	0.015*
C2	0.8520 (2)	0.73226 (12)	0.66507 (12)	0.0108 (2)
H2A	0.9708	0.7523	0.6101	0.013*
C8	0.5211 (2)	0.82194 (12)	1.05327 (12)	0.0128 (2)
H8	0.3999	0.8731	1.0901	0.015*
C4	0.8385 (2)	0.77273 (12)	0.90528 (11)	0.0109 (2)
H3N	0.925 (2)	0.5502 (14)	0.6426 (14)	0.013*
H2N	0.758 (3)	0.5428 (14)	0.5303 (12)	0.013*
H1N	0.657 (2)	0.5615 (14)	0.6569 (13)	0.013*
H1	0.500 (3)	0.6478 (14)	1.2082 (15)	0.016*
H2	0.494 (2)	0.9367 (14)	0.6636 (14)	0.016*