x	y	z	Uiso*/Ueq
O1A	0.4798 (2)	−0.00716 (5)	0.5335 (2)	0.0206 (6)
O2A	0.4840 (2)	0.02449 (5)	0.5645 (2)	0.0198 (6)
O3A	0.4556 (2)	0.06616 (5)	0.1916 (2)	0.0225 (6)
H3AB	0.4501	0.0782	0.1819	0.034*
O4A	0.4515 (2)	0.07584 (4)	0.3347 (2)	0.0200 (6)
N1A	0.4905 (3)	−0.01972 (5)	0.3685 (2)	0.0154 (6)
H1AA	0.4904	−0.0234	0.4234	0.018*
N2A	0.4804 (2)	0.01073 (5)	0.5092 (2)	0.0139 (6)
C1A	0.4820 (3)	−0.00012 (6)	0.3488 (3)	0.0135 (7)
C2A	0.4790 (3)	0.01539 (6)	0.4155 (3)	0.0127 (7)
C3A	0.4705 (3)	0.03555 (6)	0.3914 (3)	0.0128 (7)
H3AA	0.4675	0.0452	0.4355	0.015*
C4A	0.4666 (3)	0.04124 (6)	0.3024 (3)	0.0136 (7)
C5A	0.4696 (3)	0.02653 (6)	0.2357 (3)	0.0142 (7)
H5AA	0.4658	0.0303	0.1756	0.017*
C6A	0.4781 (3)	0.00665 (6)	0.2594 (3)	0.0157 (7)
H6AA	0.4814	−0.0028	0.2144	0.019*
C7A	0.4571 (3)	0.06271 (6)	0.2777 (3)	0.0163 (7)
C8A	0.4999 (3)	−0.03516 (6)	0.3019 (3)	0.0170 (7)
H8AA	0.5488	−0.0310	0.2644	0.020*
H8AB	0.4349	−0.0372	0.2631	0.020*
C9A	0.5352 (3)	−0.05477 (6)	0.3505 (3)	0.0225 (8)
H9AA	0.5494	−0.0645	0.3063	0.027*
H9AB	0.5978	−0.0523	0.3921	0.027*
C10A	0.4590 (4)	−0.06310 (6)	0.4006 (3)	0.0235 (9)
H10A	0.3953	−0.0659	0.3674	0.028*
C11A	0.4722 (4)	−0.06695 (7)	0.4881 (3)	0.0264 (9)
H11A	0.5346	−0.0644	0.5240	0.032*
H11B	0.4192	−0.0722	0.5136	0.032*
O1B	0.1456 (3)	0.20916 (5)	0.1093 (2)	0.0339 (8)
O2B	0.1513 (3)	0.18594 (5)	0.0112 (2)	0.0290 (7)
O3B	0.1853 (3)	0.11707 (5)	0.0853 (2)	0.0309 (8)
H3BB	0.1951	0.1051	0.0773	0.046*
O4B	0.2002 (3)	0.10711 (5)	0.2301 (2)	0.0338 (8)
N1B	0.1869 (3)	0.20140 (6)	0.2831 (3)	0.0266 (8)
H1BA	0.1717	0.2107	0.2434	0.032*
N2B	0.1537 (3)	0.19127 (6)	0.0896 (3)	0.0259 (8)
C1B	0.1829 (3)	0.18234 (7)	0.2541 (3)	0.0227 (9)
C2B	0.1676 (3)	0.17665 (7)	0.1610 (3)	0.0218 (8)
C3B	0.1700 (3)	0.15687 (7)	0.1344 (3)	0.0220 (8)
H3BA	0.1624	0.1537	0.0733	0.026*
C4B	0.1837 (3)	0.14176 (7)	0.1985 (3)	0.0247 (9)
C5B	0.1965 (3)	0.14686 (7)	0.2908 (3)	0.0240 (9)
H5BA	0.2060	0.1368	0.3343	0.029*
C6B	0.1952 (3)	0.16654 (7)	0.3173 (3)	0.0253 (9)
H6BA	0.2027	0.1695	0.3786	0.030*
C7B	0.1905 (3)	0.12053 (7)	0.1718 (3)	0.0246 (9)
C8B	0.2151 (4)	0.20750 (8)	0.3773 (3)	0.0308 (10)
H8BA	0.2706	0.1992	0.4069	0.037*
H8BB	0.1578	0.2057	0.4086	0.037*
C9B	0.2469 (4)	0.22914 (8)	0.3813 (4)	0.0347 (11)
H9BA	0.3024	0.2309	0.3478	0.042*
H9BB	0.2712	0.2329	0.4436	0.042*
C10B	0.1595 (4)	0.24261 (7)	0.3423 (3)	0.0286 (10)
H10B	0.1066	0.2442	0.3749	0.034*
C11B	0.1537 (5)	0.25217 (9)	0.2657 (4)	0.0429 (13)
H11C	0.2055	0.2509	0.2316	0.051*
H11D	0.0978	0.2603	0.2453	0.051*
O1C	0.4371 (3)	0.20715 (5)	0.2700 (2)	0.0309 (8)
O2C	0.4437 (3)	0.18319 (5)	0.3684 (2)	0.0276 (7)
O3C	0.4531 (3)	0.11428 (5)	0.2970 (2)	0.0254 (7)
H3CB	0.4570	0.1022	0.3063	0.038*
O4C	0.4392 (3)	0.10425 (5)	0.1523 (2)	0.0272 (7)
N1C	0.4024 (3)	0.19865 (6)	0.0965 (2)	0.0222 (7)
H1CA	0.4072	0.2079	0.1367	0.027*
N2C	0.4381 (3)	0.18899 (6)	0.2901 (3)	0.0222 (7)
C1C	0.4165 (3)	0.17956 (6)	0.1254 (3)	0.0200 (8)
C2C	0.4323 (3)	0.17402 (6)	0.2187 (3)	0.0181 (7)
C3C	0.4406 (3)	0.15417 (6)	0.2457 (3)	0.0181 (7)
H3CA	0.4494	0.1511	0.3069	0.022*
C4C	0.4362 (3)	0.13885 (6)	0.1829 (3)	0.0184 (7)
C5C	0.4237 (3)	0.14409 (6)	0.0905 (3)	0.0190 (8)
H5CA	0.4219	0.1340	0.0474	0.023*
C6C	0.4144 (3)	0.16358 (7)	0.0631 (3)	0.0206 (8)
H6CA	0.4064	0.1665	0.0018	0.025*
C7C	0.4439 (3)	0.11772 (6)	0.2093 (3)	0.0203 (8)
C8C	0.3795 (4)	0.20470 (7)	0.0011 (3)	0.0235 (9)
H8CA	0.3304	0.1956	−0.0321	0.028*
H8CB	0.4409	0.2043	−0.0255	0.028*
C9C	0.3365 (4)	0.22596 (7)	−0.0039 (3)	0.0257 (9)
H9CA	0.3147	0.2296	−0.0667	0.031*
H9CB	0.2774	0.2263	0.0258	0.031*
C10C	0.4126 (4)	0.24106 (7)	0.0396 (3)	0.0266 (9)
H10C	0.4656	0.2444	0.0093	0.032*
C11C	0.4099 (5)	0.24996 (8)	0.1176 (4)	0.0392 (12)
H11E	0.3580	0.2470	0.1499	0.047*
H11F	0.4598	0.2592	0.1404	0.047*
O1D	0.6730 (3)	0.17158 (5)	0.3481 (2)	0.0273 (7)
O2D	0.6851 (3)	0.13975 (5)	0.3179 (2)	0.0263 (7)
O3D	0.7302 (3)	0.09808 (5)	0.6904 (2)	0.0242 (6)
H3DB	0.7386	0.0860	0.6997	0.036*
O4D	0.7298 (2)	0.08858 (5)	0.5475 (2)	0.0211 (6)
N1D	0.6674 (3)	0.18377 (5)	0.5140 (3)	0.0239 (8)
H1DA	0.6628	0.1875	0.4586	0.029*
N2D	0.6820 (3)	0.15353 (5)	0.3716 (2)	0.0193 (7)
C1D	0.6813 (3)	0.16414 (6)	0.5324 (3)	0.0191 (8)
C2D	0.6873 (3)	0.14896 (7)	0.4670 (3)	0.0185 (8)
C3D	0.7010 (3)	0.12866 (6)	0.4903 (3)	0.0165 (7)
H3DA	0.7041	0.1191	0.4457	0.020*
C4D	0.7096 (3)	0.12290 (6)	0.5797 (3)	0.0176 (7)
C5D	0.7035 (3)	0.13769 (7)	0.6457 (3)	0.0197 (8)
H5DA	0.7093	0.1339	0.7058	0.024*
C6D	0.6893 (3)	0.15745 (7)	0.6238 (3)	0.0199 (8)
H6DA	0.6847	0.1667	0.6692	0.024*
C7D	0.7249 (3)	0.10172 (6)	0.6044 (3)	0.0191 (8)
C8D	0.6595 (4)	0.19921 (7)	0.5817 (3)	0.0296 (10)
H8DA	0.7264	0.2022	0.6153	0.036*
H8DB	0.6171	0.1945	0.6238	0.036*
C9D	0.6126 (5)	0.21821 (8)	0.5334 (4)	0.0446 (14)
H9DA	0.5486	0.2149	0.4954	0.054*
H9DB	0.5991	0.2280	0.5778	0.054*
C10D	0.6831 (5)	0.22691 (9)	0.4773 (4)	0.0415 (13)
H10D	0.7494	0.2296	0.5049	0.050*
C11D	0.6572 (6)	0.23101 (10)	0.3901 (4)	0.0476 (15)
H11G	0.5915	0.2284	0.3607	0.057*
H11H	0.7048	0.2365	0.3584	0.057*
O1E	0.9368 (3)	0.16267 (5)	0.5327 (2)	0.0292 (7)
O2E	0.9200 (3)	0.19429 (5)	0.5618 (2)	0.0319 (8)
O3E	0.8969 (3)	0.23643 (5)	0.1892 (2)	0.0280 (7)
H3EB	0.8920	0.2485	0.1804	0.042*
O4E	0.9056 (3)	0.24640 (5)	0.3334 (2)	0.0277 (7)
N1E	0.9343 (3)	0.15003 (6)	0.3660 (3)	0.0224 (7)
H1EA	0.9378	0.1462	0.4211	0.027*
N2E	0.9277 (3)	0.18051 (6)	0.5081 (3)	0.0239 (8)
C1E	0.9296 (3)	0.16985 (7)	0.3479 (3)	0.0202 (8)
C2E	0.9259 (3)	0.18532 (7)	0.4136 (3)	0.0206 (8)
C3E	0.9181 (3)	0.20535 (7)	0.3901 (3)	0.0224 (8)
H3EA	0.9154	0.2149	0.4345	0.027*
C4E	0.9143 (3)	0.21133 (7)	0.3012 (3)	0.0245 (9)
C5E	0.9188 (3)	0.19634 (7)	0.2340 (3)	0.0228 (9)
H5EA	0.9165	0.2001	0.1741	0.027*
C6E	0.9265 (3)	0.17648 (7)	0.2571 (3)	0.0230 (8)
H6EA	0.9299	0.1670	0.2123	0.028*
C7E	0.9050 (3)	0.23280 (6)	0.2758 (3)	0.0217 (8)
C8E	0.9334 (4)	0.13490 (7)	0.2961 (3)	0.0271 (9)
H8EA	0.9950	0.1359	0.2701	0.033*
H8EB	0.8759	0.1371	0.2484	0.033*
C9E	0.9262 (4)	0.11393 (7)	0.3369 (3)	0.0298 (10)
H9EA	0.8621	0.1128	0.3588	0.036*
H9EB	0.9259	0.1040	0.2895	0.036*
C10E	1.0104 (4)	0.10915 (7)	0.4123 (4)	0.0310 (10)
H10E	1.0769	0.1100	0.4017	0.037*
C11E	0.9950 (5)	0.10372 (9)	0.4936 (4)	0.0404 (13)
H11I	0.9291	0.1027	0.5058	0.048*
H11J	1.0500	0.1009	0.5386	0.048*
O1F	0.1889 (3)	0.34007 (5)	0.3495 (2)	0.0281 (7)
O2F	0.1725 (3)	0.30852 (5)	0.3170 (2)	0.0294 (7)
O3F	0.1606 (3)	0.26731 (5)	0.6860 (2)	0.0278 (7)
H3FB	0.1596	0.2552	0.6942	0.042*
O4F	0.1696 (3)	0.25744 (5)	0.5453 (2)	0.0277 (7)
N1F	0.1790 (3)	0.35313 (5)	0.5138 (2)	0.0204 (7)
H1FA	0.1842	0.3567	0.4597	0.024*
N2F	0.1788 (3)	0.32233 (6)	0.3722 (3)	0.0236 (8)
C1F	0.1768 (3)	0.33346 (6)	0.5321 (3)	0.0184 (8)
C2F	0.1754 (3)	0.31797 (7)	0.4668 (3)	0.0213 (8)
C3F	0.1717 (3)	0.29781 (7)	0.4894 (3)	0.0222 (8)
H3FA	0.1704	0.2881	0.4449	0.027*
C4F	0.1699 (4)	0.29217 (7)	0.5777 (3)	0.0220 (8)
C5F	0.1712 (3)	0.30720 (6)	0.6434 (3)	0.0214 (8)
H5FA	0.1688	0.3035	0.7027	0.026*
C6F	0.1758 (3)	0.32710 (6)	0.6230 (3)	0.0187 (8)
H6FA	0.1782	0.3366	0.6686	0.022*
C7F	0.1671 (3)	0.27088 (6)	0.6022 (3)	0.0203 (8)
C8F	0.1731 (3)	0.36891 (6)	0.5800 (3)	0.0224 (8)
H8FA	0.2385	0.3704	0.6188	0.027*
H8FB	0.1232	0.3654	0.6175	0.027*
C9F	0.1428 (3)	0.38856 (6)	0.5307 (3)	0.0206 (8)
H9FA	0.0798	0.3866	0.4890	0.025*
H9FB	0.1309	0.3986	0.5743	0.025*
C10F	0.2228 (4)	0.39591 (7)	0.4798 (3)	0.0242 (9)
H10F	0.2876	0.3980	0.5123	0.029*
C11F	0.2083 (4)	0.39967 (7)	0.3924 (4)	0.0292 (10)
H11K	0.1444	0.3978	0.3577	0.035*
H11L	0.2619	0.4042	0.3654	0.035*
O1G	0.4258 (3)	0.32758 (5)	0.5320 (2)	0.0301 (7)
O2G	0.4339 (3)	0.35946 (5)	0.5614 (2)	0.0287 (7)
O4G	0.4637 (2)	0.40970 (5)	0.3370 (2)	0.0236 (7)
O3G	0.4661 (3)	0.39941 (5)	0.1950 (2)	0.0291 (7)
H3GB	0.4708	0.4115	0.1868	0.044*
N1G	0.4256 (3)	0.31428 (6)	0.3676 (3)	0.0261 (8)
H1GA	0.4226	0.3109	0.4222	0.031*
N2G	0.4334 (3)	0.34537 (6)	0.5087 (2)	0.0228 (7)
C1G	0.4356 (3)	0.33379 (7)	0.3488 (3)	0.0221 (8)
C2G	0.4396 (3)	0.34948 (6)	0.4150 (3)	0.0194 (8)
C3G	0.4483 (3)	0.36957 (6)	0.3917 (3)	0.0189 (8)
H3GA	0.4510	0.3795	0.4356	0.023*
C4G	0.4528 (3)	0.37475 (7)	0.3034 (3)	0.0206 (8)
C5G	0.4492 (3)	0.35973 (7)	0.2371 (3)	0.0223 (8)
H5GA	0.4524	0.3633	0.1777	0.027*
C6G	0.4412 (3)	0.34012 (7)	0.2590 (3)	0.0233 (8)
H6GA	0.4392	0.3305	0.2140	0.028*
C7G	0.4614 (3)	0.39604 (7)	0.2795 (3)	0.0220 (8)
C8G	0.4195 (5)	0.29851 (8)	0.2980 (3)	0.0348 (11)
H8GA	0.4837	0.2975	0.2762	0.042*
H8GB	0.3669	0.3018	0.2473	0.042*
C9G	0.3948 (6)	0.27852 (10)	0.3394 (5)	0.0552 (17)
H9GA	0.3293	0.2796	0.3589	0.066*
H9GB	0.3898	0.2682	0.2937	0.066*
C10G	0.4694 (6)	0.27285 (10)	0.4144 (5)	0.0537 (17)
H10G	0.5371	0.2724	0.4069	0.064*
C11G	0.4460 (7)	0.26813 (10)	0.4959 (5)	0.0580 (19)
H11M	0.3787	0.2685	0.5048	0.070*
H11N	0.4971	0.2645	0.5431	0.070*
O1H	0.6949 (2)	0.37269 (5)	0.1115 (2)	0.0233 (6)
O2H	0.6687 (3)	0.34912 (5)	0.0112 (2)	0.0277 (7)
O3H	0.6506 (3)	0.28037 (5)	0.0834 (2)	0.0298 (7)
H3HB	0.6456	0.2683	0.0745	0.045*
O4H	0.6609 (3)	0.27052 (5)	0.2283 (2)	0.0310 (8)
N1H	0.7181 (3)	0.36459 (5)	0.2845 (3)	0.0197 (7)
H1HA	0.7174	0.3739	0.2447	0.024*
N2H	0.6824 (3)	0.35480 (5)	0.0906 (2)	0.0185 (7)
C1H	0.7002 (3)	0.34570 (6)	0.2547 (3)	0.0170 (7)
C2H	0.6824 (3)	0.34006 (6)	0.1616 (3)	0.0185 (7)
C3H	0.6687 (3)	0.32022 (7)	0.1345 (3)	0.0216 (8)
H3HA	0.6590	0.3170	0.0734	0.026*
C4H	0.6694 (3)	0.30522 (6)	0.1979 (3)	0.0215 (8)
C5H	0.6843 (3)	0.31012 (7)	0.2905 (3)	0.0223 (8)
H5HA	0.6846	0.3000	0.3332	0.027*
C6H	0.6984 (3)	0.32972 (6)	0.3180 (3)	0.0199 (8)
H6HA	0.7071	0.3327	0.3794	0.024*
C7H	0.6595 (4)	0.28398 (6)	0.1702 (3)	0.0247 (9)
C8H	0.7385 (3)	0.37048 (7)	0.3792 (3)	0.0223 (8)
H8HA	0.7837	0.3609	0.4138	0.027*
H8HB	0.6756	0.3709	0.4035	0.027*
C9H	0.7880 (3)	0.39128 (6)	0.3861 (3)	0.0200 (8)
H9HA	0.8056	0.3950	0.4492	0.024*
H9HB	0.8503	0.3908	0.3608	0.024*
C10H	0.7186 (3)	0.40677 (6)	0.3371 (3)	0.0210 (8)
H10H	0.6651	0.4113	0.3642	0.025*
C11H	0.7283 (4)	0.41445 (8)	0.2579 (4)	0.0310 (10)
H11O	0.7810	0.4103	0.2289	0.037*
H11P	0.6824	0.4240	0.2311	0.037*
O1I	0.9871 (3)	0.37631 (5)	0.2729 (2)	0.0249 (7)
O2I	0.9665 (2)	0.35322 (5)	0.3704 (2)	0.0252 (7)
O3I	0.9224 (3)	0.28461 (5)	0.2946 (2)	0.0305 (8)
H3IB	0.9173	0.2726	0.3031	0.046*
O4I	0.8981 (3)	0.27468 (5)	0.1495 (2)	0.0325 (8)
N1I	0.9359 (3)	0.36902 (5)	0.0990 (2)	0.0185 (7)
H1IA	0.9568	0.3781	0.1385	0.022*
N2I	0.9692 (3)	0.35869 (5)	0.2916 (2)	0.0180 (7)
C1I	0.9348 (3)	0.34994 (6)	0.1276 (3)	0.0187 (8)
C2I	0.9492 (3)	0.34421 (6)	0.2196 (3)	0.0185 (8)
C3I	0.9418 (3)	0.32425 (6)	0.2460 (3)	0.0193 (8)
H3IA	0.9500	0.3210	0.3070	0.023*
C4I	0.9222 (3)	0.30932 (6)	0.1815 (3)	0.0200 (8)
C5I	0.9102 (3)	0.31459 (7)	0.0897 (3)	0.0238 (9)
H5IA	0.8977	0.3046	0.0461	0.029*
C6I	0.9163 (3)	0.33419 (7)	0.0627 (3)	0.0216 (8)
H6IA	0.9084	0.3372	0.0015	0.026*
C7I	0.9145 (4)	0.28810 (7)	0.2073 (3)	0.0242 (9)
C8I	0.9044 (3)	0.37542 (7)	0.0059 (3)	0.0220 (8)
H8IA	0.8448	0.3679	−0.0214	0.026*
H8IB	0.9584	0.3728	−0.0285	0.026*
C9I	0.8800 (3)	0.39791 (6)	0.0041 (3)	0.0222 (8)
H9IA	0.8532	0.4019	−0.0573	0.027*
H9IB	0.8280	0.4004	0.0408	0.027*
C10I	0.9712 (3)	0.41012 (7)	0.0385 (3)	0.0235 (9)
H10I	1.0231	0.4104	0.0043	0.028*
C11I	0.9845 (4)	0.42081 (8)	0.1151 (4)	0.0301 (10)
H11Q	0.9343	0.4209	0.1512	0.036*
H11R	1.0440	0.4281	0.1321	0.036*
O1J	0.6912 (2)	−0.04212 (5)	0.6067 (2)	0.0218 (6)
O2J	0.7066 (2)	−0.01889 (5)	0.5094 (2)	0.0202 (6)
O3J	0.7274 (3)	0.05019 (5)	0.5851 (2)	0.0235 (6)
H3JB	0.7294	0.0623	0.5767	0.035*
O4J	0.7450 (3)	0.05988 (5)	0.7296 (2)	0.0254 (7)
N1J	0.7383 (3)	−0.03462 (5)	0.7804 (2)	0.0166 (6)
H1JA	0.7226	−0.0438	0.7405	0.020*
N2J	0.7042 (2)	−0.02428 (5)	0.5882 (2)	0.0153 (6)
C1J	0.7335 (3)	−0.01560 (6)	0.7525 (2)	0.0115 (6)
C2J	0.7178 (3)	−0.00976 (6)	0.6585 (2)	0.0129 (7)
C3J	0.7194 (3)	0.01032 (6)	0.6330 (3)	0.0142 (7)
H3JA	0.7106	0.0136	0.5721	0.017*
C4J	0.7341 (3)	0.02532 (6)	0.6973 (3)	0.0156 (7)
C5J	0.7469 (3)	0.02006 (6)	0.7898 (3)	0.0163 (7)
H5JA	0.7555	0.0301	0.8334	0.020*
C6J	0.7468 (3)	0.00046 (6)	0.8159 (3)	0.0160 (7)
H6JA	0.7556	−0.0025	0.8772	0.019*
C7J	0.7362 (3)	0.04660 (6)	0.6716 (3)	0.0166 (7)
C8J	0.7683 (3)	−0.04080 (7)	0.8742 (3)	0.0208 (8)
H8JA	0.7124	−0.0388	0.9070	0.025*
H8JB	0.8256	−0.0328	0.9028	0.025*
C9J	0.7975 (3)	−0.06297 (6)	0.8762 (3)	0.0208 (8)
H9JA	0.8509	−0.0649	0.8405	0.025*
H9JB	0.8241	−0.0668	0.9379	0.025*
C10J	0.7098 (3)	−0.07612 (7)	0.8404 (3)	0.0247 (9)
H10J	0.6582	−0.0771	0.8748	0.030*
C11J	0.6981 (4)	−0.08646 (8)	0.7652 (4)	0.0336 (11)
H11S	0.7476	−0.0860	0.7284	0.040*
H11T	0.6403	−0.0943	0.7486	0.040*
O1K	0.4841 (2)	0.53994 (5)	0.2662 (2)	0.0248 (7)
O2K	0.4993 (3)	0.51635 (5)	0.3670 (2)	0.0246 (7)
O3K	0.4947 (3)	0.44726 (5)	0.2956 (2)	0.0264 (7)
H3KB	0.4958	0.4351	0.3047	0.040*
O4K	0.4824 (3)	0.43708 (5)	0.1518 (3)	0.0308 (8)
N1K	0.4536 (3)	0.53129 (5)	0.0940 (2)	0.0175 (7)
H1KA	0.4580	0.5406	0.1340	0.021*
N2K	0.4897 (2)	0.52186 (6)	0.2871 (2)	0.0169 (6)
C1K	0.4668 (3)	0.51243 (6)	0.1231 (3)	0.0147 (7)
C2K	0.4841 (3)	0.50701 (6)	0.2170 (3)	0.0156 (7)
C3K	0.4928 (3)	0.48703 (6)	0.2444 (3)	0.0151 (7)
H3KA	0.5037	0.4840	0.3057	0.018*
C4K	0.4854 (3)	0.47175 (6)	0.1821 (3)	0.0167 (7)
C5K	0.4724 (3)	0.47678 (6)	0.0893 (3)	0.0176 (7)
H5KA	0.4694	0.4666	0.0466	0.021*
C6K	0.4642 (3)	0.49629 (6)	0.0614 (2)	0.0158 (7)
H6KA	0.4568	0.4991	−0.0001	0.019*
C7K	0.4884 (3)	0.45065 (7)	0.2100 (3)	0.0191 (8)
C8K	0.4319 (3)	0.53727 (6)	−0.0015 (3)	0.0183 (7)
H8KA	0.3837	0.5280	−0.0351	0.022*
H8KB	0.4939	0.5369	−0.0272	0.022*
C9K	0.3878 (3)	0.55848 (7)	−0.0079 (3)	0.0213 (8)
H9KA	0.3693	0.5622	−0.0710	0.026*
H9KB	0.3266	0.5587	0.0190	0.026*
C10K	0.4616 (3)	0.57339 (7)	0.0388 (3)	0.0264 (9)
H10K	0.5154	0.5772	0.0103	0.032*
C11K	0.4558 (4)	0.58158 (8)	0.1179 (4)	0.0353 (11)
H11U	0.4030	0.5781	0.1482	0.042*
H11V	0.5046	0.5908	0.1433	0.042*
O1L	0.2305 (3)	−0.00317 (5)	−0.1522 (2)	0.0248 (7)
O2L	0.2347 (3)	0.02862 (5)	−0.1806 (2)	0.0273 (7)
O4L	0.2148 (2)	0.07949 (5)	0.0451 (2)	0.0256 (7)
O3L	0.2203 (3)	0.06950 (5)	0.1883 (2)	0.0277 (7)
H3LB	0.2187	0.0816	0.1966	0.042*
N1L	0.2342 (3)	−0.01613 (5)	0.0147 (2)	0.0182 (7)
H1LA	0.2352	−0.0198	−0.0401	0.022*
N2L	0.2309 (3)	0.01460 (5)	−0.1266 (2)	0.0182 (7)
C1L	0.2281 (3)	0.00347 (6)	0.0321 (3)	0.0161 (7)
C2L	0.2269 (3)	0.01911 (6)	−0.0334 (3)	0.0166 (7)
C3L	0.2234 (3)	0.03931 (6)	−0.0102 (3)	0.0177 (8)
H3LA	0.2223	0.0491	−0.0543	0.021*
C4L	0.2214 (3)	0.04480 (6)	0.0785 (3)	0.0160 (7)
C5L	0.2211 (3)	0.02969 (6)	0.1438 (3)	0.0179 (8)
H5LA	0.2185	0.0333	0.2032	0.021*
C6L	0.2246 (3)	0.00993 (7)	0.1218 (3)	0.0188 (8)
H6LA	0.2247	0.0004	0.1669	0.023*
C7L	0.2189 (3)	0.06601 (6)	0.1037 (3)	0.0184 (7)
C8L	0.2391 (3)	−0.03163 (7)	0.0840 (3)	0.0217 (8)
H8LA	0.1769	−0.0315	0.1094	0.026*
H8LB	0.2954	−0.0289	0.1322	0.026*
C9L	0.2532 (4)	−0.05211 (7)	0.0439 (3)	0.0291 (10)
H9LA	0.3177	−0.0523	0.0222	0.035*
H9LB	0.2563	−0.0621	0.0912	0.035*
C10L	0.1710 (4)	−0.05764 (8)	−0.0316 (4)	0.0318 (11)
H10L	0.1049	−0.0579	−0.0197	0.038*
C11L	0.1844 (5)	−0.06217 (9)	−0.1135 (4)	0.0395 (13)
H11W	0.2495	−0.0621	−0.1281	0.047*
H11X	0.1290	−0.0655	−0.1572	0.047*