x	y	z	Uiso*/Ueq
S1	0.40421 (16)	0.84717 (13)	0.09943 (5)	0.0521 (3)
O1	1.2589 (5)	0.9295 (3)	0.65028 (13)	0.0582 (8)
O2	1.1549 (6)	1.1965 (5)	−0.14550 (16)	0.0981 (13)
N1	0.7980 (6)	0.9227 (4)	0.36608 (16)	0.0474 (8)
C1	0.9871 (7)	0.8570 (5)	0.38833 (19)	0.0467 (10)
H1	1.0810	0.7913	0.3612	0.056*
C2	1.0659 (6)	0.8797 (5)	0.45527 (18)	0.0410 (9)
C3	0.9313 (7)	0.9756 (5)	0.49822 (19)	0.0473 (10)
H3	0.7912	1.0293	0.4835	0.057*
C4	1.0031 (7)	0.9914 (5)	0.5619 (2)	0.0474 (10)
H4	0.9124	1.0569	0.5898	0.057*
C5	1.2101 (7)	0.9106 (5)	0.58501 (18)	0.0418 (10)
C6	1.3488 (7)	0.8174 (5)	0.54288 (19)	0.0513 (11)
H6	1.4893	0.7645	0.5577	0.062*
C7	1.2765 (7)	0.8037 (5)	0.4784 (2)	0.0519 (10)
H7	1.3709	0.7422	0.4498	0.062*
C8	1.4655 (8)	0.8448 (6)	0.6785 (2)	0.0705 (13)
H8A	1.4721	0.8630	0.7255	0.106*
H8B	1.5993	0.8877	0.6526	0.106*
H8C	1.4638	0.7271	0.6764	0.106*
C9	0.7237 (6)	0.9003 (4)	0.30085 (18)	0.0395 (9)
C10	0.5119 (6)	0.9821 (5)	0.28283 (19)	0.0454 (10)
H10	0.4293	1.0456	0.3132	0.054*
C11	0.4219 (6)	0.9703 (5)	0.22036 (19)	0.0446 (10)
H11	0.2796	1.0260	0.2089	0.054*
C12	0.5420 (6)	0.8762 (5)	0.17482 (18)	0.0404 (9)
C13	0.7546 (6)	0.7946 (5)	0.19237 (19)	0.0462 (10)
H13	0.8370	0.7312	0.1619	0.055*
C14	0.8444 (6)	0.8068 (5)	0.25442 (19)	0.0446 (10)
H14	0.9876	0.7520	0.2655	0.054*
C15	0.5884 (6)	0.9284 (4)	0.02990 (18)	0.0392 (9)
C16	0.7859 (6)	1.0131 (4)	0.03509 (18)	0.0417 (9)
H16	0.8307	1.0313	0.0779	0.050*
C17	0.9151 (6)	1.0700 (5)	−0.02354 (19)	0.0474 (10)
H17	1.0464	1.1273	−0.0196	0.057*
C18	0.8547 (6)	1.0441 (5)	−0.08816 (19)	0.0456 (10)
C19	0.6550 (7)	0.9614 (5)	−0.09213 (19)	0.0489 (10)
H19	0.6093	0.9443	−0.1350	0.059*
C20	0.5227 (7)	0.9041 (5)	−0.03450 (19)	0.0475 (10)
H20	0.3894	0.8491	−0.0386	0.057*
C21	1.0007 (8)	1.1056 (6)	−0.1499 (2)	0.0569 (11)
C22	0.9573 (9)	1.0531 (6)	−0.2177 (2)	0.0800 (15)
H22A	1.0659	1.1021	−0.2522	0.120*
H22B	0.8016	1.0901	−0.2302	0.120*
H22C	0.9767	0.9333	−0.2144	0.120*
S2	−0.10116 (16)	0.32763 (13)	0.16371 (5)	0.0510 (3)
O3	0.8434 (5)	0.4410 (4)	0.69853 (14)	0.0654 (8)
O4	0.2586 (6)	0.6780 (4)	−0.14986 (14)	0.0845 (10)
N2	0.4418 (5)	0.4400 (4)	0.40143 (16)	0.0475 (8)
C23	0.4230 (7)	0.3483 (5)	0.4586 (2)	0.0528 (11)
H23	0.3251	0.2609	0.4627	0.063*
C24	0.5470 (7)	0.3721 (5)	0.51887 (19)	0.0446 (10)
C25	0.7361 (7)	0.4704 (5)	0.5146 (2)	0.0490 (10)
H25	0.7923	0.5194	0.4718	0.059*
C26	0.8425 (7)	0.4964 (5)	0.57344 (19)	0.0487 (10)
H26	0.9686	0.5627	0.5701	0.058*
C27	0.7591 (7)	0.4226 (5)	0.6370 (2)	0.0466 (10)
C28	0.5749 (7)	0.3232 (5)	0.6414 (2)	0.0539 (11)
H28	0.5203	0.2723	0.6840	0.065*
C29	0.4705 (7)	0.2986 (5)	0.5829 (2)	0.0557 (11)
H29	0.3458	0.2310	0.5866	0.067*
C30	1.0244 (8)	0.5508 (6)	0.6994 (2)	0.0753 (14)
H30A	1.0722	0.5461	0.7456	0.113*
H30B	0.9687	0.6632	0.6826	0.113*
H30C	1.1544	0.5171	0.6706	0.113*
C31	0.3062 (6)	0.4115 (4)	0.34626 (18)	0.0399 (9)
C32	0.3869 (6)	0.4741 (4)	0.28040 (18)	0.0429 (9)
H32	0.5214	0.5320	0.2746	0.052*
C33	0.2704 (6)	0.4515 (5)	0.22338 (19)	0.0422 (9)
H33	0.3268	0.4939	0.1797	0.051*
C34	0.0701 (6)	0.3659 (4)	0.23136 (17)	0.0362 (9)
C35	−0.0163 (6)	0.3070 (5)	0.29683 (18)	0.0428 (10)
H35	−0.1530	0.2516	0.3025	0.051*
C36	0.1005 (6)	0.3307 (5)	0.35358 (18)	0.0455 (10)
H36	0.0405	0.2920	0.3973	0.055*
C37	0.0526 (6)	0.4036 (4)	0.08628 (17)	0.0385 (9)
C38	0.2689 (6)	0.3346 (5)	0.06659 (18)	0.0438 (9)
H38	0.3481	0.2541	0.0969	0.053*
C39	0.3663 (7)	0.3849 (5)	0.00259 (19)	0.0434 (10)
H39	0.5111	0.3369	−0.0101	0.052*
C40	0.2549 (6)	0.5052 (5)	−0.04367 (17)	0.0396 (9)
C41	0.0402 (7)	0.5757 (5)	−0.02320 (19)	0.0476 (10)
H41	−0.0369	0.6583	−0.0531	0.057*
C42	−0.0611 (7)	0.5250 (5)	0.04106 (19)	0.0465 (10)
H42	−0.2059	0.5726	0.0539	0.056*
C43	0.3520 (7)	0.5607 (5)	−0.1144 (2)	0.0515 (10)
C44	0.5658 (8)	0.4716 (6)	−0.1407 (2)	0.0737 (14)
H44A	0.5995	0.5168	−0.1877	0.111*
H44B	0.5421	0.3545	−0.1378	0.111*
H44C	0.6939	0.4859	−0.1136	0.111*