x	y	z	Uiso*/Ueq
O1	0.3153 (2)	0.58462 (17)	0.49702 (9)	0.0356 (4)
N1	0.4213 (2)	0.4360 (2)	0.19545 (10)	0.0242 (4)
H1	0.465 (4)	0.514 (3)	0.2058 (13)	0.028 (8)*
N2	0.2325 (3)	0.4773 (2)	0.09313 (10)	0.0259 (5)
H2	0.182 (4)	0.397 (4)	0.0809 (15)	0.044 (9)*
C1	0.4665 (3)	0.4017 (2)	0.13475 (12)	0.0274 (5)
H1A	0.4187	0.3106	0.1211	0.033*
H1B	0.5841	0.4127	0.1349	0.033*
C2	0.4094 (3)	0.4851 (2)	0.09331 (12)	0.0291 (5)
H2A	0.4655	0.5752	0.1049	0.035*
H2B	0.4371	0.4581	0.0532	0.035*
C3	0.1853 (3)	0.5056 (2)	0.15391 (11)	0.0264 (5)
H3A	0.0675	0.4925	0.1534	0.032*
H3B	0.2307	0.5965	0.1689	0.032*
C4	0.2433 (3)	0.4209 (2)	0.19414 (11)	0.0255 (5)
H4A	0.2118	0.4431	0.2342	0.031*
H4B	0.1922	0.3303	0.1807	0.031*
C5	0.1813 (4)	0.5660 (3)	0.05447 (13)	0.0342 (6)
H5A	0.0661	0.5612	0.0558	0.051*
H5B	0.2058	0.5413	0.0142	0.051*
H5C	0.2386	0.6539	0.0680	0.051*
C6	0.4812 (3)	0.3553 (2)	0.23719 (12)	0.0294 (6)
H6A	0.4361	0.2637	0.2235	0.035*
H6B	0.5990	0.3686	0.2370	0.035*
C7	0.4370 (3)	0.3868 (2)	0.29871 (12)	0.0284 (5)
C8	0.5091 (3)	0.5012 (2)	0.33399 (12)	0.0305 (6)
H8A	0.5904	0.5608	0.3193	0.037*
C9	0.4627 (3)	0.5279 (2)	0.38995 (12)	0.0304 (6)
H9A	0.5108	0.6066	0.4130	0.036*
C10	0.3464 (3)	0.4409 (2)	0.41296 (12)	0.0276 (5)
C11	0.2752 (3)	0.3270 (2)	0.37767 (12)	0.0279 (5)
H11A	0.1957	0.2667	0.3927	0.033*
C12	0.3182 (3)	0.3006 (2)	0.32147 (12)	0.0289 (6)
H12A	0.2668	0.2233	0.2980	0.035*
C13	0.2977 (3)	0.4734 (2)	0.47391 (12)	0.0292 (5)
N14	0.2326 (3)	0.3702 (2)	0.49985 (10)	0.0290 (5)
H14	0.250 (4)	0.298 (3)	0.4857 (13)	0.030 (8)*
C15	0.1556 (3)	0.3663 (2)	0.55298 (12)	0.0276 (5)
C16	0.0846 (3)	0.4640 (3)	0.57780 (12)	0.0314 (6)
H16A	0.0945	0.5428	0.5620	0.038*
C17	−0.0012 (3)	0.4419 (3)	0.62653 (13)	0.0339 (6)
H17A	−0.0498	0.5080	0.6438	0.041*
C18	−0.0199 (3)	0.3286 (3)	0.65133 (12)	0.0315 (6)
C19	−0.1298 (4)	0.3073 (3)	0.70004 (14)	0.0437 (7)
H19A	−0.0708	0.2871	0.7340	0.066*
H19B	−0.2194	0.2357	0.6867	0.066*
H19C	−0.1708	0.3851	0.7111	0.066*
C20	0.0583 (3)	0.2345 (2)	0.62720 (11)	0.0264 (5)
C21	0.1447 (3)	0.2542 (2)	0.57814 (12)	0.0274 (5)
H21A	0.1971	0.1896	0.5617	0.033*
N22	0.0369 (3)	0.1166 (2)	0.65091 (10)	0.0295 (5)
H22	−0.053 (4)	0.098 (3)	0.6678 (15)	0.040 (9)*
C23	0.1200 (3)	0.0202 (2)	0.64192 (11)	0.0264 (5)
N24	0.0467 (3)	−0.0938 (2)	0.65697 (10)	0.0304 (5)
C25	0.1278 (3)	−0.1869 (3)	0.64831 (13)	0.0341 (6)
H25A	0.0816	−0.2684	0.6589	0.041*
C26	0.2749 (3)	−0.1733 (2)	0.62498 (13)	0.0322 (6)
H26A	0.3286	−0.2426	0.6189	0.039*
C27	0.3399 (3)	−0.0522 (2)	0.61095 (11)	0.0267 (5)
N28	0.2636 (3)	0.0452 (2)	0.62024 (9)	0.0270 (5)
C29	0.4951 (3)	−0.0229 (2)	0.58435 (11)	0.0267 (5)
C30	0.5691 (3)	−0.1204 (2)	0.56171 (12)	0.0290 (5)
H30A	0.5167	−0.2065	0.5635	0.035*
N31	0.7095 (3)	−0.1001 (2)	0.53756 (10)	0.0314 (5)
C32	0.7788 (3)	0.0217 (3)	0.53364 (12)	0.0303 (6)
H32A	0.8790	0.0380	0.5169	0.036*
C33	0.7121 (3)	0.1247 (3)	0.55272 (12)	0.0308 (6)
H33A	0.7635	0.2094	0.5479	0.037*
C34	0.5695 (3)	0.1028 (2)	0.57896 (12)	0.0291 (5)
H34A	0.5225	0.1724	0.5932	0.035*
O1A	0.1518 (2)	0.22087 (16)	0.07622 (8)	0.0291 (4)
O21A	0.3381 (2)	0.07732 (17)	0.12752 (9)	0.0346 (4)
O22A	0.3131 (2)	−0.0904 (2)	0.06313 (10)	0.0396 (5)
O41A	−0.2360 (2)	−0.33957 (17)	0.04481 (10)	0.0395 (5)
O42A	−0.4305 (2)	−0.2407 (2)	0.03722 (12)	0.0493 (6)
O61A	−0.3332 (3)	0.2150 (2)	0.07480 (12)	0.0520 (6)
O62A	−0.1032 (3)	0.32666 (18)	0.06299 (11)	0.0427 (5)
N2A	0.2595 (3)	−0.0043 (2)	0.08996 (10)	0.0287 (5)
N4A	−0.2888 (3)	−0.2408 (2)	0.04636 (10)	0.0311 (5)
N6A	−0.1906 (3)	0.2244 (2)	0.06879 (10)	0.0301 (5)
C1A	0.0479 (3)	0.1211 (2)	0.07465 (10)	0.0242 (5)
C2A	0.0909 (3)	−0.0022 (2)	0.07761 (11)	0.0253 (5)
C3A	−0.0144 (3)	−0.1176 (2)	0.06785 (11)	0.0265 (5)
H3AA	0.0223	−0.1956	0.0674	0.032*
C4A	−0.1766 (3)	−0.1186 (2)	0.05852 (11)	0.0272 (5)
C5A	−0.2330 (3)	−0.0062 (2)	0.06039 (11)	0.0261 (5)
H5AA	−0.3445	−0.0084	0.0562	0.031*
C6A	−0.1240 (3)	0.1095 (2)	0.06843 (11)	0.0259 (5)
O1B	0.4787 (2)	0.68998 (16)	0.21876 (9)	0.0303 (4)
O21B	0.2684 (2)	0.84672 (18)	0.19341 (9)	0.0348 (4)
O22B	0.3412 (3)	0.9982 (2)	0.26585 (11)	0.0493 (6)
O41B	0.8703 (3)	1.24447 (18)	0.21586 (10)	0.0441 (5)
O42B	1.0597 (2)	1.13663 (18)	0.20751 (9)	0.0363 (5)
O61B	0.9270 (2)	0.6835 (2)	0.16693 (9)	0.0392 (5)
O62B	0.7440 (2)	0.58469 (18)	0.21578 (10)	0.0405 (5)
N2B	0.3710 (3)	0.9196 (2)	0.22702 (11)	0.0316 (5)
N4B	0.9186 (3)	1.1430 (2)	0.21198 (10)	0.0327 (5)
N6B	0.8091 (3)	0.6809 (2)	0.19535 (10)	0.0285 (5)
C1B	0.5803 (3)	0.7898 (2)	0.21517 (11)	0.0248 (5)
C2B	0.5386 (3)	0.9143 (2)	0.22026 (11)	0.0267 (5)
C3B	0.6441 (3)	1.0279 (2)	0.22022 (12)	0.0298 (6)
H3BA	0.6099	1.1072	0.2255	0.036*
C4B	0.8035 (3)	1.0239 (2)	0.21222 (11)	0.0281 (5)
C5B	0.8561 (3)	0.9107 (2)	0.20437 (11)	0.0263 (5)
H5BA	0.9650	0.9103	0.1982	0.032*
C6B	0.7471 (3)	0.7972 (2)	0.20563 (11)	0.0257 (5)