x	y	z	Uiso*/Ueq	Occ. (<1)
S1A	−0.14677 (5)	0.17392 (8)	0.08523 (7)	0.0251 (2)
O1A	0.27407 (16)	0.0780 (3)	−0.00263 (19)	0.0339 (8)
O2A	0.25387 (16)	0.1201 (3)	0.2996 (2)	0.0318 (8)
N1A	−0.00422 (19)	0.1008 (3)	−0.0368 (2)	0.0246 (8)
H1NA	−0.0012	0.0373	−0.0338	0.030*	0.5
N2A	−0.0252 (2)	0.1531 (3)	−0.1071 (2)	0.031 (1)
N3A	−0.0231 (2)	0.2448 (3)	−0.0848 (3)	0.0349 (10)
N4A	−0.00020 (19)	0.2525 (3)	−0.0020 (3)	0.0287 (8)
H4NA	0.0062	0.3063	0.0274	0.034*	0.5
C1A	−0.0953 (2)	0.1363 (3)	0.1756 (3)	0.0223 (9)
C2A	−0.1397 (2)	0.1174 (3)	0.2428 (3)	0.0231 (9)
H2A	−0.1214	0.0973	0.2971	0.028*
C3A	−0.2158 (2)	0.1295 (3)	0.2268 (3)	0.0239 (9)
C4A	−0.2763 (2)	0.1176 (3)	0.2813 (3)	0.0244 (9)
H4A	−0.2688	0.0980	0.3391	0.029*
C5A	−0.3458 (2)	0.1339 (3)	0.2521 (3)	0.0277 (10)
H5A	−0.3865	0.1249	0.2894	0.033*
C6A	−0.3574 (2)	0.1642 (3)	0.1660 (3)	0.0273 (10)
H6A	−0.4060	0.1742	0.1457	0.033*
C7A	−0.2992 (2)	0.1793 (3)	0.1117 (3)	0.0270 (9)
H7A	−0.3068	0.2022	0.0548	0.032*
C8A	−0.2287 (2)	0.1604 (3)	0.1415 (3)	0.0226 (9)
C9A	−0.0161 (2)	0.1270 (3)	0.1772 (3)	0.0204 (8)
H9A	0.0036	0.1098	0.2316	0.025*
C10A	0.0341 (2)	0.1385 (3)	0.1153 (3)	0.0211 (9)
C11A	0.0106 (2)	0.1620 (4)	0.0259 (3)	0.0225 (9)
C12A	0.1135 (2)	0.1267 (3)	0.1272 (3)	0.0224 (9)
C13A	0.1443 (2)	0.1325 (3)	0.2116 (3)	0.0234 (9)
H13A	0.1143	0.1463	0.2600	0.028*
C14A	0.2187 (2)	0.1177 (3)	0.2212 (3)	0.0233 (9)
C15A	0.2651 (2)	0.1003 (3)	0.1514 (3)	0.0271 (10)
H15A	0.3163	0.0915	0.1594	0.033*
C16A	0.2347 (2)	0.0964 (3)	0.0717 (3)	0.0268 (10)
C17A	0.1596 (2)	0.1100 (3)	0.0598 (3)	0.0264 (10)
H17A	0.1401	0.1077	0.0032	0.032*
C18A	0.3507 (2)	0.0617 (4)	0.0066 (3)	0.0377 (12)
H18A	0.3733	0.1180	0.0344	0.057*
H18B	0.3728	0.0520	−0.0501	0.057*
H18C	0.3588	0.0039	0.0420	0.057*
C19A	0.2093 (3)	0.1288 (4)	0.3753 (3)	0.0335 (11)
H19A	0.1845	0.1919	0.3752	0.050*
H19B	0.2404	0.1236	0.4265	0.050*
H19C	0.1725	0.0769	0.3759	0.050*
S1B	0.63976 (5)	0.33164 (8)	0.41542 (7)	0.0245 (2)
O1B	0.21860 (16)	0.4196 (3)	0.5019 (2)	0.0393 (9)
O2B	0.23920 (16)	0.3710 (3)	0.2009 (2)	0.0306 (7)
N1B	0.49906 (19)	0.3988 (3)	0.5359 (2)	0.0250 (8)
H1NB	0.4969	0.4625	0.5332	0.030*	0.5
N2B	0.5193 (2)	0.3455 (3)	0.6043 (2)	0.0321 (10)
N3B	0.5154 (2)	0.2549 (3)	0.5866 (3)	0.0332 (9)
N4B	0.49224 (19)	0.2483 (3)	0.5038 (3)	0.0260 (8)
H4NB	0.4848	0.1940	0.4754	0.031*	0.5
C1B	0.5881 (2)	0.3683 (3)	0.3263 (3)	0.0218 (9)
C2B	0.6327 (2)	0.3889 (3)	0.2573 (3)	0.0244 (9)
H2B	0.6144	0.4095	0.2031	0.029*
C3B	0.7093 (2)	0.3762 (3)	0.2746 (3)	0.0215 (9)
C4B	0.7694 (2)	0.3905 (3)	0.2191 (3)	0.0252 (9)
H4B	0.7625	0.4114	0.1615	0.030*
C5B	0.8392 (2)	0.3730 (3)	0.2517 (3)	0.0247 (9)
H5B	0.8806	0.3819	0.2153	0.030*
C6B	0.8503 (2)	0.3429 (3)	0.3357 (3)	0.0271 (10)
H6B	0.8989	0.3321	0.3556	0.032*
C7B	0.7919 (2)	0.3283 (3)	0.3910 (3)	0.0261 (9)
H7B	0.7996	0.3076	0.4485	0.031*
C8B	0.7214 (2)	0.3451 (3)	0.3595 (3)	0.0253 (9)
C9B	0.5091 (2)	0.3757 (4)	0.3228 (3)	0.0233 (9)
H9B	0.4895	0.3923	0.2681	0.028*
C10B	0.4590 (2)	0.3625 (3)	0.3856 (3)	0.0211 (9)
C11B	0.4828 (2)	0.3364 (3)	0.4728 (3)	0.0221 (9)
C12B	0.3782 (2)	0.3708 (3)	0.3707 (3)	0.0200 (8)
C13B	0.3489 (2)	0.3638 (3)	0.2897 (3)	0.0224 (9)
H13B	0.3799	0.3513	0.2419	0.027*
C14B	0.2740 (2)	0.3750 (3)	0.2778 (3)	0.0261 (10)
C15B	0.2278 (2)	0.3939 (3)	0.3476 (3)	0.0249 (9)
H15B	0.1765	0.4019	0.3390	0.030*
C16B	0.2576 (2)	0.4008 (3)	0.4304 (3)	0.0261 (10)
C17B	0.3329 (2)	0.3884 (3)	0.4430 (3)	0.0233 (9)
H17B	0.3534	0.3918	0.4991	0.028*
C18B	0.1415 (2)	0.4338 (4)	0.4934 (3)	0.0382 (12)
H18D	0.1322	0.4897	0.4560	0.057*
H18E	0.1200	0.4457	0.5501	0.057*
H18F	0.1192	0.3758	0.4681	0.057*
C19B	0.2836 (3)	0.3658 (4)	0.1264 (3)	0.0357 (12)
H19D	0.3218	0.4157	0.1292	0.054*
H19E	0.2531	0.3764	0.0753	0.054*
H19F	0.3065	0.3017	0.1230	0.054*
C1SA	0.4356 (4)	0.1141 (5)	0.3215 (5)	0.069 (2)
H1S1	0.3850	0.1165	0.3428	0.103*
H1S2	0.4399	0.0632	0.2779	0.103*
H1S3	0.4486	0.1768	0.2961	0.103*
O1SA	0.4839 (2)	0.0935 (2)	0.3908 (3)	0.0400 (9)
H1SA	0.4764	0.1330	0.4310	0.060*	0.5
H2SA	0.4955	0.0346	0.3897	0.060*	0.5
C1SB	0.0583 (3)	0.3839 (4)	0.1772 (5)	0.065 (2)
H1S4	0.0789	0.4438	0.2009	0.098*
H1S5	0.0982	0.3422	0.1567	0.098*
H1S6	0.0305	0.3499	0.2219	0.098*
O1SB	0.0113 (2)	0.4064 (3)	0.1081 (2)	0.0391 (9)
H1SB	0.0067	0.3576	0.0763	0.059*	0.5
H2SB	0.0327	0.4446	0.0743	0.059*	0.5