x	y	z	Uiso*/Ueq
Cd1	0.5000	0.0000	0.0000	0.0179 (2)
Cd2	0.0000	0.5000	0.5000	0.0152 (2)
O1	0.3460 (6)	−0.1203 (6)	0.0086 (2)	0.0255 (14)
H1O	0.3454	−0.1900	0.0278	0.031*
H2O	0.2884	−0.1118	−0.0131	0.031*
O2	−0.1216 (6)	0.3462 (6)	0.5004 (2)	0.0188 (13)
H3O	−0.1082	0.3017	0.4730	0.023*
H4O	−0.2117	0.3834	0.5072	0.023*
N11	0.3004 (7)	0.2155 (7)	0.0113 (2)	0.0159 (14)
N12	0.0329 (7)	0.4706 (7)	0.4130 (2)	0.0168 (15)
C101	0.1756 (9)	0.2138 (9)	0.0360 (3)	0.0188 (18)
H101	0.1650	0.1248	0.0382	0.023*
C102	0.0667 (9)	0.3284 (9)	0.0576 (3)	0.0218 (19)
H102	−0.0160	0.3170	0.0736	0.026*
C103	0.0737 (9)	0.4624 (9)	0.0566 (3)	0.0180 (18)
C104	0.1981 (9)	0.4690 (9)	0.0313 (3)	0.0215 (19)
H104	0.2094	0.5576	0.0286	0.026*
C105	0.3048 (9)	0.3478 (9)	0.0101 (3)	0.0227 (19)
H105	0.3877	0.3574	−0.0065	0.027*
C106	−0.0347 (9)	0.5862 (9)	0.0839 (3)	0.0221 (19)
H10A	−0.1276	0.5737	0.0889	0.027*
H10B	−0.0518	0.6745	0.0636	0.027*
C107	0.0128 (9)	0.6049 (9)	0.1346 (3)	0.0204 (19)
H10C	0.1061	0.6168	0.1298	0.024*
H10D	−0.0607	0.6929	0.1502	0.024*
C108	0.0311 (10)	0.4762 (9)	0.1694 (3)	0.025 (2)
H10E	0.1180	0.3924	0.1574	0.030*
H10F	−0.0545	0.4516	0.1686	0.030*
C109	0.0473 (10)	0.5069 (9)	0.2231 (3)	0.023 (2)
H10G	0.1307	0.5349	0.2237	0.027*
H10H	−0.0413	0.5883	0.2356	0.027*
C110	0.0710 (10)	0.3759 (9)	0.2574 (3)	0.027 (2)
H11A	−0.0020	0.3368	0.2517	0.033*
H11B	0.1684	0.3007	0.2485	0.033*
C111	0.0598 (10)	0.4099 (9)	0.3123 (3)	0.022 (2)
C112	0.1818 (10)	0.3809 (9)	0.3390 (3)	0.0231 (19)
H112	0.2769	0.3403	0.3231	0.028*
C113	0.1614 (9)	0.4124 (8)	0.3887 (3)	0.0179 (18)
H113	0.2450	0.3909	0.4066	0.022*
C114	−0.0851 (9)	0.5015 (9)	0.3870 (3)	0.0203 (19)
H114	−0.1787	0.5442	0.4040	0.024*
C115	−0.0759 (10)	0.4739 (9)	0.3371 (3)	0.0212 (19)
H115	−0.1615	0.4986	0.3201	0.025*
N21	0.5191 (8)	−0.0094 (8)	0.0862 (2)	0.0192 (16)
N22	0.7871 (7)	−0.3004 (6)	0.4863 (2)	0.0113 (13)
C201	0.5874 (9)	−0.1351 (9)	0.1092 (3)	0.0226 (19)
H201	0.6121	−0.2209	0.0914	0.027*
C202	0.6240 (10)	−0.1453 (10)	0.1584 (3)	0.027 (2)
H202	0.6703	−0.2368	0.1736	0.032*
C203	0.5927 (10)	−0.0224 (10)	0.1847 (3)	0.025 (2)
C204	0.5167 (10)	0.1083 (10)	0.1611 (3)	0.027 (2)
H204	0.4871	0.1955	0.1784	0.032*
C205	0.4851 (10)	0.1102 (10)	0.1130 (3)	0.028 (2)
H205	0.4364	0.2006	0.0974	0.034*
C206	0.6337 (10)	−0.0278 (11)	0.2377 (3)	0.030 (2)
H20A	0.7225	−0.1151	0.2425	0.036*
H20B	0.6561	0.0565	0.2432	0.036*
C207	0.5147 (10)	−0.0287 (11)	0.2752 (3)	0.027 (2)
H20C	0.5032	−0.1204	0.2728	0.033*
H20D	0.4224	0.0498	0.2667	0.033*
C208	0.5406 (9)	−0.0109 (10)	0.3284 (3)	0.023 (2)
H20E	0.5551	0.0793	0.3307	0.027*
H20F	0.6309	−0.0912	0.3374	0.027*
C209	0.4158 (9)	−0.0072 (9)	0.3655 (3)	0.0196 (19)
H20G	0.4124	−0.1034	0.3675	0.024*
H20H	0.3230	0.0614	0.3533	0.024*
C210	0.4299 (9)	0.0364 (9)	0.4179 (3)	0.0210 (19)
H21A	0.4452	0.1270	0.4156	0.025*
H21B	0.3382	0.0543	0.4385	0.025*
C211	0.5540 (9)	−0.0769 (9)	0.4432 (3)	0.0165 (18)
C212	0.5365 (9)	−0.1941 (9)	0.4666 (3)	0.0198 (18)
H212	0.4445	−0.2005	0.4685	0.024*
C213	0.6524 (9)	−0.3010 (9)	0.4870 (3)	0.0172 (18)
H213	0.6373	−0.3803	0.5026	0.021*
C214	0.8012 (9)	−0.1840 (9)	0.4630 (3)	0.0188 (18)
H214	0.8939	−0.1793	0.4608	0.023*
C215	0.6890 (9)	−0.0734 (9)	0.4424 (3)	0.0195 (18)
H215	0.7050	0.0062	0.4276	0.023*
N31	−0.0493 (8)	1.1537 (9)	0.4252 (3)	0.0320 (19)
N32	−0.1723 (9)	1.0904 (9)	0.0658 (3)	0.035 (2)
C301	−0.1172 (10)	1.1686 (10)	0.3835 (4)	0.030 (2)
H301	−0.1875	1.2604	0.3752	0.036*
C302	−0.0885 (10)	1.0542 (10)	0.3516 (3)	0.026 (2)
H302	−0.1425	1.0686	0.3232	0.031*
C303	0.0188 (9)	0.9194 (9)	0.3613 (3)	0.0154 (17)
C304	0.0963 (9)	0.9043 (9)	0.4046 (3)	0.0202 (19)
H304	0.1717	0.8157	0.4129	0.024*
C305	0.0566 (10)	1.0247 (10)	0.4341 (3)	0.027 (2)
H305	0.1086	1.0150	0.4627	0.032*
C306	0.0541 (10)	0.7921 (9)	0.3294 (3)	0.028 (2)
H30A	−0.0241	0.8133	0.3066	0.033*
H30B	0.0564	0.7095	0.3508	0.033*
C307	0.1996 (10)	0.7500 (9)	0.2985 (3)	0.028 (2)
H30C	0.2780	0.7279	0.3212	0.033*
H30D	0.2185	0.6617	0.2802	0.033*
C308	0.2050 (10)	0.8652 (11)	0.2619 (3)	0.033 (2)
H30E	0.3044	0.8338	0.2455	0.040*
H30F	0.1855	0.9536	0.2803	0.040*
C309	0.0965 (10)	0.9005 (10)	0.2218 (3)	0.028 (2)
H30G	−0.0037	0.9424	0.2376	0.034*
H30H	0.1091	0.8110	0.2053	0.034*
C310	0.1180 (11)	1.0081 (10)	0.1822 (3)	0.032 (2)
H31A	0.1001	1.0996	0.1983	0.038*
H31B	0.2196	0.9686	0.1676	0.038*
C311	0.0166 (9)	1.0358 (9)	0.1418 (3)	0.0210 (19)
C312	−0.1188 (10)	1.1552 (10)	0.1427 (4)	0.030 (2)
H312	−0.1468	1.2201	0.1694	0.037*
C313	−0.2088 (11)	1.1779 (10)	0.1058 (4)	0.038 (3)
H313	−0.3002	1.2572	0.1078	0.046*
C314	−0.0463 (10)	0.9765 (9)	0.0655 (3)	0.025 (2)
H314	−0.0214	0.9120	0.0387	0.030*
C315	0.0528 (10)	0.9460 (9)	0.1029 (3)	0.023 (2)
H315	0.1424	0.8646	0.1007	0.028*
Cl1	0.5093 (2)	0.4849 (2)	0.40637 (8)	0.0265 (5)
O3	0.3649 (6)	0.5756 (7)	0.4264 (2)	0.0309 (15)
O4	0.5991 (7)	0.4198 (8)	0.4469 (3)	0.0458 (19)
O5	0.5694 (8)	0.5707 (8)	0.3756 (2)	0.0425 (19)
O6	0.4995 (7)	0.3747 (7)	0.3767 (2)	0.0373 (17)
Cl2	0.4508 (3)	0.5691 (2)	0.11401 (9)	0.0307 (6)
O7	0.4223 (8)	0.4435 (7)	0.1242 (3)	0.0416 (18)
O8	0.3993 (8)	0.6319 (8)	0.0671 (3)	0.054 (2)
O9	0.3709 (9)	0.6750 (9)	0.1517 (3)	0.066 (3)
O10	0.6020 (7)	0.5384 (7)	0.1153 (3)	0.0359 (16)
C1	0.6037 (12)	0.5405 (12)	0.2465 (4)	0.047 (3)
H1A	0.5424	0.6134	0.2239	0.071*
H1B	0.7062	0.5157	0.2356	0.071*
H1C	0.5840	0.5783	0.2802	0.071*
C2	0.5708 (14)	0.4094 (12)	0.2460 (4)	0.052 (3)
H2A	0.4658	0.4369	0.2550	0.062*
H2B	0.5916	0.3719	0.2119	0.062*
O11	0.6511 (11)	0.2977 (9)	0.2790 (3)	0.080 (3)
H11	0.6325	0.3277	0.3082	0.120*