x	y	z	Uiso*/Ueq
S1	0.88574 (3)	0.63900 (3)	1.09521 (2)	0.01593 (11)
O1	0.83163 (10)	0.75502 (10)	1.08708 (8)	0.0226 (2)
O2	1.01217 (9)	0.62502 (10)	1.07406 (8)	0.0209 (2)
O3	0.62260 (9)	0.57766 (10)	1.07603 (8)	0.0205 (2)
N1	0.80984 (11)	0.54879 (12)	1.01545 (9)	0.0174 (3)
N2	0.63131 (12)	0.47495 (13)	0.93204 (9)	0.0222 (3)
N3	0.69959 (11)	0.44335 (12)	0.85221 (9)	0.0179 (3)
C1	1.01300 (15)	0.40745 (16)	1.19750 (12)	0.0251 (3)
H1A	0.9694	0.3882	1.1324	0.038*
H1B	1.0329	0.3337	1.2345	0.038*
H1C	1.0893	0.4503	1.1879	0.038*
C2	0.93199 (14)	0.48450 (14)	1.25551 (11)	0.0190 (3)
C3	0.91819 (16)	0.45650 (16)	1.35526 (12)	0.0250 (3)
H3	0.9612	0.3899	1.3850	0.030*
C4	0.84335 (16)	0.52348 (17)	1.41160 (12)	0.0288 (4)
H4	0.8377	0.5035	1.4795	0.035*
C5	0.77680 (16)	0.61910 (17)	1.36998 (12)	0.0266 (4)
H5	0.7238	0.6632	1.4083	0.032*
C6	0.78836 (15)	0.64984 (15)	1.27155 (11)	0.0211 (3)
H6	0.7428	0.7150	1.2420	0.025*
C7	0.86715 (13)	0.58463 (14)	1.21606 (10)	0.0165 (3)
C8	0.68259 (13)	0.53668 (14)	1.01056 (10)	0.0169 (3)
C9	0.70155 (15)	0.31371 (15)	0.83580 (12)	0.0235 (3)
H9A	0.6184	0.2788	0.8382	0.028*
H9B	0.7598	0.2739	0.8862	0.028*
C10	0.74462 (16)	0.30259 (17)	0.73176 (13)	0.0289 (4)
H10	0.8364	0.2946	0.7354	0.035*
C11	0.68091 (18)	0.20163 (19)	0.66902 (16)	0.0389 (5)
H11A	0.7340	0.1726	0.6185	0.047*
H11B	0.6607	0.1341	0.7118	0.047*
C12	0.56419 (18)	0.25961 (19)	0.61967 (14)	0.0358 (4)
H12A	0.5304	0.2138	0.5605	0.043*
H12B	0.5003	0.2661	0.6669	0.043*
C13	0.6079 (2)	0.3821 (2)	0.58998 (13)	0.0386 (5)
H13A	0.5380	0.4386	0.5806	0.046*
H13B	0.6484	0.3777	0.5274	0.046*
C14	0.70093 (17)	0.42092 (17)	0.67816 (12)	0.0294 (4)
H14	0.7720	0.4652	0.6541	0.035*
C15	0.64125 (16)	0.49198 (16)	0.75762 (11)	0.0238 (3)
H15A	0.6586	0.5782	0.7520	0.029*
H15B	0.5508	0.4797	0.7519	0.029*
H1	0.8539 (17)	0.5085 (18)	0.9741 (13)	0.038 (6)*
H2	0.5498 (9)	0.4609 (18)	0.9291 (15)	0.031 (5)*