x	y	z	Uiso*/Ueq
O1	0.0122 (2)	1.34005 (15)	0.07329 (14)	0.0276
C2	0.1938 (3)	1.3516 (2)	0.04699 (18)	0.0221
O3	0.2517 (2)	1.45464 (14)	−0.00910 (14)	0.0281
C4	0.3484 (3)	1.2387 (2)	0.08338 (17)	0.0215
C5	0.2990 (3)	1.1180 (2)	0.14000 (18)	0.0231
C6	0.4449 (3)	1.0125 (2)	0.17190 (18)	0.0233
C7	0.6447 (3)	1.0260 (2)	0.14525 (18)	0.0220
N8	0.8099 (2)	0.92608 (18)	0.17206 (15)	0.0238
N9	0.7751 (2)	0.81065 (17)	0.21222 (15)	0.0235
C10	0.9450 (3)	0.7184 (2)	0.24132 (18)	0.0243
C11	1.1313 (3)	0.7536 (2)	0.2247 (2)	0.0293
C12	1.2896 (3)	0.6624 (2)	0.2565 (2)	0.0321
C13	1.2665 (3)	0.5349 (2)	0.30679 (19)	0.0302
O14	1.4341 (2)	0.45519 (16)	0.33669 (15)	0.0364
C15	1.4290 (4)	0.3232 (2)	0.3930 (2)	0.0349
C16	1.6307 (4)	0.2701 (3)	0.4247 (2)	0.0399
C17	1.6430 (4)	0.1366 (3)	0.4911 (2)	0.0388
C18	1.7890 (4)	0.0213 (3)	0.4581 (3)	0.0455
C19	1.0850 (3)	0.4962 (2)	0.32338 (19)	0.0310
C20	0.9240 (3)	0.5897 (2)	0.28909 (19)	0.0287
C21	0.6931 (3)	1.1467 (2)	0.09065 (19)	0.0252
C22	0.5462 (3)	1.2529 (2)	0.06039 (18)	0.0238
H51	0.1631	1.1098	0.1566	0.0298*
H61	0.4112	0.9298	0.2120	0.0302*
H111	1.1483	0.8433	0.1888	0.0379*
H121	1.4168	0.6860	0.2448	0.0406*
H151	1.3110	0.3369	0.4683	0.0453*
H152	1.4146	0.2584	0.3328	0.0447*
H161	1.6418	0.3468	0.4751	0.0512*
H162	1.7478	0.2531	0.3482	0.0518*
H171	1.5325	0.1356	0.5657	0.0520*
H182	1.9017	0.0237	0.3829	0.0605*
H181	1.7859	−0.0632	0.5068	0.0604*
H191	1.0658	0.4083	0.3577	0.0394*
H201	0.8003	0.5652	0.2975	0.0369*
H211	0.8278	1.1552	0.0740	0.0331*
H221	0.5794	1.3355	0.0213	0.0322*
H2	0.1704	1.5151	−0.0423	0.0500*