x	y	z	Uiso*/Ueq
O1	0.37921 (12)	0.08545 (8)	0.23487 (7)	0.0188 (2)
N1	0.16513 (14)	0.24923 (9)	0.32617 (8)	0.0159 (2)
C1	0.29249 (17)	0.19721 (11)	0.23418 (10)	0.0161 (3)
O2	0.50070 (12)	0.30752 (8)	0.07786 (7)	0.0202 (2)
H2	0.5529	0.3158	0.1284	0.030*
N2	0.03753 (14)	0.13607 (10)	0.04645 (8)	0.0174 (2)
C2	0.30826 (17)	0.30455 (11)	0.12863 (10)	0.0173 (3)
O3	−0.10708 (12)	0.31235 (9)	0.14096 (8)	0.0232 (2)
N3	0.26263 (14)	0.00056 (10)	−0.07643 (9)	0.0185 (2)
H3A	0.3780	−0.0201	−0.1202	0.022*
H3B	0.1798	−0.0454	−0.0697	0.022*
C3	0.18841 (17)	0.42116 (12)	0.18239 (10)	0.0178 (3)
N4	0.33379 (14)	0.17486 (10)	−0.02748 (8)	0.0175 (2)
C4	0.15762 (18)	0.54854 (12)	0.13580 (11)	0.0210 (3)
H4	0.2148	0.5746	0.0573	0.025*
C5	0.04026 (19)	0.63828 (12)	0.20688 (11)	0.0222 (3)
H5	0.0180	0.7266	0.1768	0.027*
C6	−0.04402 (18)	0.59920 (12)	0.32105 (11)	0.0212 (3)
H6	−0.1239	0.6615	0.3680	0.025*
C7	−0.01412 (17)	0.47040 (12)	0.36854 (10)	0.0183 (3)
H7	−0.0728	0.4437	0.4465	0.022*
C8	0.10411 (17)	0.38371 (11)	0.29745 (10)	0.0168 (3)
C9	0.12524 (17)	0.18231 (11)	0.44190 (10)	0.0161 (3)
C10	0.27258 (18)	0.12805 (11)	0.49893 (11)	0.0192 (3)
H10	0.3994	0.1339	0.4615	0.023*
C11	0.2316 (2)	0.06493 (12)	0.61182 (11)	0.0233 (3)
H11	0.3312	0.0268	0.6516	0.028*
C12	0.0459 (2)	0.05757 (12)	0.66629 (11)	0.0247 (3)
H12	0.0185	0.0150	0.7435	0.030*
C13	−0.10000 (19)	0.11217 (12)	0.60827 (11)	0.0233 (3)
H13	−0.2271	0.1071	0.6460	0.028*
C14	−0.06071 (18)	0.17416 (12)	0.49517 (11)	0.0195 (3)
H14	−0.1599	0.2105	0.4548	0.023*
C15	0.22403 (17)	0.28338 (11)	0.03230 (10)	0.0173 (3)
H15	0.2094	0.3626	−0.0256	0.021*
C16	0.03012 (17)	0.24701 (12)	0.08034 (10)	0.0175 (3)
C17	0.21402 (17)	0.09987 (11)	−0.02122 (10)	0.0162 (3)
C18	0.49912 (18)	0.18208 (12)	−0.12386 (10)	0.0207 (3)
H18A	0.5813	0.0964	−0.1304	0.031*
H18B	0.5707	0.2375	−0.1096	0.031*
H18C	0.4562	0.2172	−0.1962	0.031*
O1S	0.57472 (13)	0.29564 (10)	0.30873 (9)	0.0304 (3)
H1S	0.6853	0.2952	0.2685	0.046*
C1S	0.5142 (2)	0.39650 (15)	0.37674 (14)	0.0336 (3)
H1S1	0.5991	0.3811	0.4309	0.040*
H1S2	0.3837	0.3965	0.4237	0.040*
C2S	0.5151 (2)	0.52356 (16)	0.30585 (16)	0.0413 (4)
H2S1	0.6444	0.5248	0.2601	0.062*
H2S2	0.4729	0.5894	0.3570	0.062*
H2S3	0.4285	0.5405	0.2535	0.062*