x	y	z	Uiso*/Ueq	Occ. (<1)
Cl1	0.48813 (2)	0.21752 (7)	0.32764 (2)	0.01728 (8)
O1	0.64061 (5)	0.6016 (2)	0.43110 (4)	0.02004 (16)
O2	0.34886 (5)	0.1370 (2)	0.42588 (4)	0.02038 (17)
H2	0.317 (2)	0.137 (9)	0.4593 (16)	0.031*	0.5
O3	0.06134 (7)	0.3759 (3)	0.54909 (5)	0.0313 (2)
H3	0.018 (2)	0.445 (12)	0.516 (2)	0.047*	0.5
O4	−0.03494 (6)	0.1653 (3)	0.62162 (5)	0.0303 (2)
O5A	0.19794 (11)	0.1042 (7)	0.48308 (10)	0.0265 (4)	0.5
H9A	0.1547 (18)	0.038 (11)	0.4493 (18)	0.040*	0.5
H10A	0.2453 (15)	0.043 (11)	0.4682 (18)	0.040*	0.5
O5B	0.20132 (11)	−0.1191 (6)	0.48529 (9)	0.0199 (3)	0.5
H9B	0.1501 (15)	−0.090 (9)	0.4587 (19)	0.030*	0.5
H10B	0.209 (2)	−0.347 (5)	0.4873 (19)	0.030*	0.5
N1	0.19857 (6)	0.0209 (3)	0.63805 (5)	0.01977 (18)
C1	0.57374 (6)	0.5511 (3)	0.45987 (5)	0.01438 (18)
C2	0.49294 (7)	0.3688 (3)	0.42158 (5)	0.01476 (18)
C3	0.42138 (6)	0.3090 (3)	0.45734 (6)	0.01574 (19)
C4	0.12231 (7)	0.0793 (3)	0.66495 (6)	0.01658 (19)
C5	0.12193 (7)	0.0166 (3)	0.74206 (6)	0.0198 (2)
H5	0.068573	0.056090	0.761605	0.024*
C6	0.20078 (8)	−0.1057 (3)	0.79117 (6)	0.0226 (2)
H6	0.201710	−0.146932	0.844701	0.027*
C7	0.27772 (7)	−0.1668 (3)	0.76174 (7)	0.0226 (2)
H7	0.331694	−0.251819	0.794609	0.027*
C8	0.27478 (7)	−0.1023 (3)	0.68384 (7)	0.0236 (2)
H8	0.326860	−0.145258	0.662656	0.028*
C9	0.04024 (8)	0.2152 (3)	0.60747 (6)	0.0210 (2)
H1	0.1993 (12)	0.049 (5)	0.5876 (10)	0.039 (4)*