x	y	z	Uiso*/Ueq
S1	0.20917 (3)	1.05419 (3)	0.44384 (2)	0.01311 (6)
C2	0.17424 (12)	0.91906 (10)	0.43367 (10)	0.0117 (2)
N3	0.13892 (11)	0.90316 (9)	0.33646 (8)	0.01298 (18)
C3A	0.13978 (12)	0.99549 (11)	0.26319 (10)	0.0130 (2)
C4	0.10933 (14)	1.00118 (12)	0.15352 (10)	0.0165 (2)
H4	0.086143	0.938809	0.122941	0.020*
C5	0.11382 (14)	1.10006 (12)	0.09052 (11)	0.0183 (2)
H5	0.094063	1.105310	0.015622	0.022*
C6	0.14719 (14)	1.19255 (12)	0.13597 (11)	0.0185 (2)
H6	0.148137	1.260042	0.091474	0.022*
C7	0.17885 (14)	1.18784 (11)	0.24436 (11)	0.0167 (2)
H7	0.201612	1.250566	0.274740	0.020*
C7A	0.17590 (13)	1.08692 (11)	0.30715 (10)	0.0134 (2)
C8	0.18455 (12)	0.82947 (10)	0.52233 (10)	0.0113 (2)
C9	0.21641 (12)	0.84103 (10)	0.63037 (10)	0.0119 (2)
C10	0.22112 (13)	0.75420 (11)	0.71150 (10)	0.0130 (2)
C11	0.19296 (13)	0.64662 (11)	0.69151 (10)	0.0126 (2)
C12	0.16105 (12)	0.72035 (10)	0.49822 (9)	0.0112 (2)
C13	0.25168 (14)	0.76681 (11)	0.82143 (11)	0.0161 (2)
C14	0.44732 (16)	0.90452 (15)	0.64337 (18)	0.0375 (4)
H14A	0.482909	0.832100	0.688175	0.056*
H14B	0.484276	0.965711	0.663453	0.056*
H14C	0.483227	0.879848	0.562098	0.056*
S2	0.28523 (3)	0.39958 (3)	0.51130 (2)	0.01363 (7)
S3	0.24867 (3)	0.97028 (3)	0.67335 (3)	0.01445 (7)
O1	0.18556 (10)	0.56948 (8)	0.75942 (7)	0.01650 (17)
O2	0.39814 (10)	0.43053 (8)	0.44172 (8)	0.01993 (19)
O3	0.22015 (11)	0.32617 (8)	0.46616 (8)	0.01989 (19)
N1	0.14142 (11)	0.53246 (9)	0.55209 (8)	0.01215 (18)
H01	0.0686 (19)	0.5236 (16)	0.6018 (15)	0.024 (4)*
N2	0.17243 (11)	0.63362 (9)	0.57965 (8)	0.01120 (18)
N4	0.13014 (12)	0.69607 (10)	0.40197 (9)	0.01497 (19)
H02	0.116 (2)	0.6318 (18)	0.3914 (16)	0.031 (5)*
H03	0.118 (2)	0.7536 (18)	0.3545 (16)	0.030 (5)*
N5	0.27764 (14)	0.77140 (11)	0.91037 (10)	0.0249 (2)
C15	0.35093 (13)	0.32693 (11)	0.63125 (10)	0.0142 (2)
C16	0.27838 (14)	0.25780 (11)	0.69169 (11)	0.0162 (2)
H16	0.196647	0.250018	0.667958	0.019*
C17	0.32777 (14)	0.20066 (11)	0.78708 (11)	0.0174 (2)
H17	0.278268	0.154275	0.829314	0.021*
C18	0.44894 (14)	0.21006 (11)	0.82216 (11)	0.0173 (2)
C19	0.51825 (14)	0.28051 (12)	0.76017 (11)	0.0184 (2)
H19	0.600293	0.288172	0.783499	0.022*
C20	0.46997 (13)	0.33974 (11)	0.66507 (11)	0.0168 (2)
H20	0.517566	0.388092	0.623997	0.020*
C21	0.50385 (16)	0.14328 (14)	0.92318 (12)	0.0247 (3)
H21A	0.419338	0.152364	0.984240	0.037*
H21B	0.567230	0.178318	0.950152	0.037*
H21C	0.560779	0.055639	0.901004	0.037*
C97	0.20835 (19)	0.51005 (15)	−0.00331 (12)	0.0303 (3)
H97A	0.105803	0.547512	−0.014305	0.045*
H97B	0.258431	0.429728	−0.045575	0.045*
H97C	0.259893	0.563981	−0.031259	0.045*
C98	0.35300 (17)	0.44892 (18)	0.15100 (14)	0.0356 (4)
H98A	0.339323	0.441322	0.233601	0.053*
H98B	0.400502	0.507200	0.129860	0.053*
H98C	0.415656	0.368141	0.112343	0.053*
C99	0.08612 (15)	0.51648 (12)	0.19300 (11)	0.0186 (2)
H99	−0.003677	0.541604	0.165524	0.022*
N99	0.20970 (13)	0.49363 (11)	0.11715 (9)	0.0198 (2)
O99	0.07862 (10)	0.50763 (9)	0.29665 (7)	0.01853 (18)