x	y	z	Uiso*/Ueq
S1	0.93080 (5)	0.19624 (4)	0.46989 (4)	0.02796 (15)
O1	0.12066 (15)	1.17646 (14)	0.21473 (11)	0.0292 (3)
H1O	0.082 (3)	1.159 (3)	0.2882 (11)	0.044*
N1	0.77812 (17)	0.49550 (15)	0.48469 (12)	0.0233 (3)
H1N	0.774 (2)	0.5919 (13)	0.4427 (16)	0.028*
N2	0.95702 (17)	0.46117 (15)	0.31940 (12)	0.0237 (3)
H2N	1.024 (2)	0.3997 (19)	0.2772 (15)	0.028*
N3	0.92493 (17)	0.62221 (15)	0.27822 (12)	0.0235 (3)
C1	0.8821 (2)	0.39389 (18)	0.42601 (14)	0.0223 (3)
C2	0.6701 (2)	0.47628 (18)	0.59294 (14)	0.0219 (3)
C3	0.6397 (2)	0.33626 (18)	0.66028 (15)	0.0247 (3)
H3	0.695700	0.243795	0.636170	0.030*
C4	0.5271 (2)	0.33353 (19)	0.76263 (15)	0.0254 (3)
H4	0.506601	0.238203	0.808407	0.030*
C5	0.4437 (2)	0.4669 (2)	0.79964 (15)	0.0268 (4)
H5	0.366970	0.463257	0.870039	0.032*
C6	0.4742 (2)	0.6063 (2)	0.73207 (16)	0.0300 (4)
H6	0.417842	0.698703	0.756202	0.036*
C7	0.5864 (2)	0.61034 (19)	0.62989 (15)	0.0271 (4)
H7	0.606583	0.705860	0.584298	0.033*
C8	0.9943 (2)	0.67483 (18)	0.17277 (15)	0.0241 (3)
C9	1.1028 (2)	0.5771 (2)	0.09267 (16)	0.0323 (4)
H9A	1.224584	0.522396	0.124235	0.048*
H9B	1.104985	0.645704	0.007433	0.048*
H9C	1.049551	0.499250	0.094012	0.048*
C10	0.9738 (2)	0.84652 (19)	0.12493 (15)	0.0265 (4)
H10A	0.909132	0.893089	0.045447	0.032*
H10B	1.094242	0.854018	0.106361	0.032*
C11	0.8784 (2)	0.94844 (19)	0.20771 (15)	0.0269 (4)
H11A	0.922435	0.889481	0.293362	0.032*
H11B	0.911704	1.044499	0.179824	0.032*
C12	0.6776 (2)	0.99862 (17)	0.21054 (15)	0.0234 (3)
C13	0.5843 (2)	0.97100 (18)	0.32206 (15)	0.0254 (3)
H13	0.648932	0.912561	0.396999	0.030*
C14	0.3991 (2)	1.02660 (18)	0.32684 (15)	0.0260 (3)
H14	0.338550	1.005371	0.404055	0.031*
C15	0.3032 (2)	1.11362 (18)	0.21756 (15)	0.0247 (3)
C16	0.3935 (2)	1.14113 (18)	0.10509 (15)	0.0257 (3)
H16	0.328803	1.198894	0.030121	0.031*
C17	0.5781 (2)	1.08424 (18)	0.10229 (15)	0.0253 (3)
H17	0.638311	1.103991	0.024812	0.030*