x	y	z	Uiso*/Ueq
O1	−0.0046 (3)	0.6614 (4)	0.1346	0.067 (3)*
N2	0.0097 (3)	0.5679 (6)	0.655 (3)	0.051*
N3	0.0633 (3)	0.5704 (6)	0.288 (4)	0.051*
N4	−0.0478 (3)	0.6009 (6)	0.858 (4)	0.051*
C5	0.0253 (4)	0.5800 (7)	0.478 (4)	0.051*
C6	0.0209 (4)	0.6110 (7)	0.301 (4)	0.051*
H6	0.0319	0.6180	0.1824	0.061*
C7	0.0000 (4)	0.6304 (7)	0.310 (4)	0.051*
C8	−0.0160 (4)	0.6196 (7)	0.486 (4)	0.051*
H8	−0.0301	0.6325	0.4940	0.061*
C9	−0.0108 (4)	0.5887 (7)	0.654 (4)	0.051*
C10	0.0482 (4)	0.5595 (7)	0.471 (4)	0.051*
C11	0.0544 (4)	0.5322 (6)	0.660 (4)	0.051*
H11	0.0445	0.5270	0.7934	0.061*
C12	0.0756 (3)	0.5132 (7)	0.645 (4)	0.051*
H12	0.0798	0.4945	0.7643	0.061*
C13	0.0905 (4)	0.5225 (7)	0.448 (4)	0.051*
H13	0.1045	0.5096	0.4299	0.061*
C14	0.0837 (4)	0.5518 (7)	0.278 (4)	0.051*
H14	0.0938	0.5589	0.1510	0.061*
C15	−0.0286 (3)	0.5771 (6)	0.840 (3)	0.051*
C16	−0.0263 (4)	0.5425 (7)	0.984 (4)	0.051*
H16	−0.0137	0.5259	0.9615	0.061*
C17	−0.0431 (4)	0.5332 (7)	1.161 (4)	0.051*
H17	−0.0415	0.5110	1.2628	0.061*
C18	−0.0624 (4)	0.5579 (7)	1.183 (4)	0.051*
H18	−0.0744	0.5516	1.2909	0.061*
C19	−0.0630 (4)	0.5925 (7)	1.035 (4)	0.051*
H19	−0.0748	0.6106	1.0631	0.061*
O20	−0.0608 (2)	0.7962 (4)	0.187 (3)	0.067 (3)*
O21	−0.0911 (2)	0.8612 (4)	0.246 (3)	0.067 (3)*
O22	−0.1263 (3)	0.8329 (4)	−0.111 (3)	0.067 (3)*
O23	−0.1184 (2)	0.7296 (4)	−0.314 (3)	0.067 (3)*
O24	−0.0706 (2)	0.7416 (4)	−0.138 (3)	0.067 (3)*
C25	−0.0511 (4)	0.7344 (7)	−0.001 (4)	0.051*
C26	−0.0454 (4)	0.7653 (7)	0.176 (4)	0.051*
C27	−0.0263 (3)	0.7608 (7)	0.327 (4)	0.051*
H27	−0.0215	0.7816	0.4291	0.061*
C28	−0.0139 (4)	0.7242 (7)	0.325 (4)	0.051*
H28	−0.0025	0.7196	0.4433	0.061*
C29	−0.0190 (4)	0.6956 (8)	0.146 (4)	0.051*
C30	−0.0376 (3)	0.6998 (6)	−0.014 (4)	0.051*
H30	−0.0411	0.6800	−0.1292	0.061*
C31	−0.0540 (4)	0.8312 (7)	0.328 (4)	0.051*
H31A	−0.0444	0.8235	0.4689	0.061*
H31B	−0.0453	0.8490	0.2215	0.061*
C32	−0.0743 (4)	0.8510 (7)	0.419 (4)	0.051*
H32A	−0.0813	0.8341	0.5447	0.061*
H32B	−0.0695	0.8751	0.5038	0.061*
C33	−0.1144 (3)	0.8536 (7)	0.324 (4)	0.051*
H33A	−0.1188	0.8739	0.4437	0.061*
H33B	−0.1147	0.8284	0.4119	0.061*
C34	−0.1324 (4)	0.8524 (7)	0.116 (4)	0.051*
H34A	−0.1460	0.8396	0.1823	0.061*
H34B	−0.1366	0.8795	0.0750	0.061*
C35	−0.1172 (4)	0.7936 (7)	−0.091 (4)	0.051*
H35A	−0.1202	0.7829	0.0754	0.061*
H35B	−0.1008	0.7940	−0.1177	0.061*
C36	−0.1289 (4)	0.7680 (7)	−0.291 (4)	0.051*
H36A	−0.1449	0.7647	−0.2477	0.061*
H36B	−0.1281	0.7815	−0.4518	0.061*
C37	−0.0982 (4)	0.7268 (6)	−0.462 (4)	0.051*
H37A	−0.0945	0.7529	−0.5273	0.061*
H37B	−0.1012	0.7095	−0.6039	0.061*
C38	−0.0776 (4)	0.7110 (6)	−0.319 (4)	0.051*
H38A	−0.0816	0.6867	−0.2314	0.061*
H38B	−0.0651	0.7053	−0.4341	0.061*