x	y	z	Uiso*/Ueq
O1	0.4650 (5)	0.7694 (5)	0.4740 (8)	0.0490 (17)
O2	0.5455 (5)	0.6197 (5)	0.5579 (8)	0.0492 (19)
O3	−0.2022 (4)	0.3751 (4)	−0.0943 (6)	0.0305 (14)
N1	0.2293 (4)	0.2766 (6)	0.2357 (7)	0.0253 (17)
H2A	0.3518	0.2443	0.3613	0.030*
N2	0.3179 (4)	0.3039 (6)	0.3141 (7)	0.0248 (15)
N3	0.4744 (5)	0.6668 (7)	0.4797 (9)	0.0311 (16)
C1	0.3319 (5)	0.4178 (7)	0.3224 (9)	0.0237 (18)
C2	0.4084 (5)	0.4805 (7)	0.3985 (9)	0.0259 (19)
H2	0.4654	0.4459	0.4523	0.031*
C3	0.3978 (6)	0.5954 (7)	0.3925 (9)	0.0231 (17)
C4	0.3146 (6)	0.6497 (6)	0.3121 (9)	0.0234 (18)
H4	0.3106	0.7298	0.3115	0.028*
C5	0.2396 (5)	0.5862 (6)	0.2349 (9)	0.0221 (18)
H5	0.1834	0.6216	0.1790	0.026*
C6	0.2473 (5)	0.4667 (7)	0.2400 (8)	0.0180 (17)
C7	0.1848 (6)	0.3728 (6)	0.1920 (9)	0.019 (2)
C8	0.0853 (6)	0.3749 (7)	0.1091 (9)	0.021 (2)
C9	0.0491 (4)	0.4629 (5)	−0.0003 (8)	0.0244 (14)
H9	0.0904	0.5223	−0.0269	0.029*
C10	−0.0468 (4)	0.4668 (5)	−0.0732 (9)	0.0260 (14)
H10	−0.0702	0.5277	−0.1490	0.031*
C11	−0.1067 (6)	0.3808 (6)	−0.0330 (9)	0.0205 (19)
C12	−0.0721 (4)	0.2916 (5)	0.0784 (8)	0.0281 (15)
H12	−0.1135	0.2324	0.1054	0.034*
C13	0.0229 (4)	0.2896 (5)	0.1498 (8)	0.0248 (14)
H13	0.0459	0.2293	0.2274	0.030*
C14	−0.2404 (5)	0.4616 (6)	−0.2163 (10)	0.0406 (18)
H14A	−0.2092	0.4586	−0.3273	0.061*
H14B	−0.2291	0.5356	−0.1586	0.061*
H14C	−0.3090	0.4499	−0.2464	0.061*
O4	0.5210 (5)	−0.2692 (5)	0.0879 (8)	0.0461 (16)
O5	0.4437 (4)	−0.1201 (5)	−0.0121 (8)	0.0434 (18)
O6	1.1756 (4)	0.1266 (4)	0.7138 (6)	0.0322 (14)
N4	0.6648 (4)	0.1951 (6)	0.2571 (7)	0.0262 (15)
H4A	0.6277	0.2544	0.2145	0.031*
N5	0.7533 (4)	0.2231 (6)	0.3387 (7)	0.0252 (17)
N6	0.5133 (5)	−0.1670 (8)	0.0758 (8)	0.0323 (17)
C15	0.6528 (5)	0.0827 (6)	0.2389 (9)	0.0195 (16)
C16	0.5754 (5)	0.0192 (6)	0.1567 (9)	0.0234 (18)
H16	0.5186	0.0528	0.0999	0.028*
C17	0.5892 (6)	−0.0958 (7)	0.1658 (9)	0.0236 (17)
C18	0.6700 (6)	−0.1506 (7)	0.2516 (10)	0.0273 (19)
H18	0.6730	−0.2307	0.2574	0.033*
C19	0.7451 (6)	−0.0852 (6)	0.3273 (9)	0.0239 (18)
H19	0.8013	−0.1198	0.3848	0.029*
C20	0.7376 (5)	0.0320 (7)	0.3184 (8)	0.0185 (17)
C21	0.7974 (6)	0.1252 (6)	0.3794 (9)	0.021 (2)
C22	0.8960 (6)	0.1244 (6)	0.4662 (9)	0.019 (2)
C23	0.9577 (5)	0.0380 (5)	0.4298 (9)	0.0273 (14)
H23	0.9348	−0.0213	0.3501	0.033*
C24	1.0518 (5)	0.0361 (5)	0.5068 (8)	0.0284 (15)
H24	1.0929	−0.0232	0.4787	0.034*
C25	1.0852 (6)	0.1210 (7)	0.6245 (9)	0.024 (2)
C26	1.0248 (4)	0.2077 (5)	0.6667 (8)	0.0267 (15)
H26	1.0479	0.2652	0.7496	0.032*
C27	0.9311 (4)	0.2099 (5)	0.5878 (8)	0.0261 (14)
H27	0.8903	0.2695	0.6159	0.031*
C28	1.2406 (5)	0.0424 (7)	0.6675 (11)	0.0450 (19)
H28A	1.2483	0.0484	0.5384	0.067*
H28B	1.2159	−0.0326	0.6926	0.067*
H28C	1.3024	0.0535	0.7398	0.067*