x	y	z	Uiso*/Ueq
O1	0.4593 (3)	0.7922 (2)	0.34949 (10)	0.0245
C2	0.5380 (4)	0.6635 (3)	0.34006 (13)	0.0181
N3	0.6870 (3)	0.6583 (3)	0.30476 (12)	0.0186
C4	0.8001 (3)	0.5165 (3)	0.30769 (13)	0.0178
C5	0.9227 (3)	0.5430 (3)	0.36900 (14)	0.0187
O6	1.0531 (3)	0.4227 (2)	0.36945 (10)	0.0233
C7	1.0081 (4)	0.7115 (3)	0.36672 (14)	0.0191
O8	1.0852 (2)	0.7438 (2)	0.43187 (9)	0.0238
C9	0.8851 (4)	0.8502 (3)	0.35308 (14)	0.0196
C10	0.7767 (4)	0.8115 (4)	0.29066 (15)	0.0202
O11	0.9812 (3)	0.9966 (2)	0.34507 (10)	0.0247
C12	0.7057 (4)	0.3552 (3)	0.31154 (14)	0.0192
O13	0.7761 (3)	0.2272 (2)	0.29231 (10)	0.0234
N14	0.5463 (3)	0.3566 (3)	0.33597 (12)	0.0186
C15	0.4689 (3)	0.5025 (3)	0.36625 (13)	0.0188
C16	0.4834 (3)	0.4874 (3)	0.44528 (13)	0.0187
O17	0.3887 (3)	0.6143 (2)	0.47677 (10)	0.0240
C18	0.4098 (4)	0.3245 (3)	0.46900 (13)	0.0203
O19	0.4442 (3)	0.3016 (3)	0.54059 (9)	0.0269
C20	0.4757 (4)	0.1754 (3)	0.43053 (13)	0.0201
C21	0.4581 (4)	0.2045 (3)	0.35390 (13)	0.0199
O22	0.3776 (3)	0.0390 (2)	0.45221 (10)	0.0310
H41	0.8655	0.5150	0.2656	0.0187*
H51	0.8535	0.5336	0.4109	0.0227*
H71	1.0974	0.7116	0.3316	0.0230*
H91	0.8058	0.8605	0.3927	0.0225*
H102	0.8459	0.7964	0.2509	0.0230*
H101	0.6975	0.8990	0.2835	0.0223*
H151	0.3443	0.5003	0.3557	0.0220*
H161	0.6054	0.4942	0.4588	0.0216*
H181	0.2825	0.3283	0.4634	0.0238*
H201	0.5996	0.1598	0.4417	0.0244*
H212	0.5077	0.1118	0.3286	0.0232*
H211	0.3349	0.2163	0.3433	0.0228*
H81	1.1809	0.7027	0.4365	0.0340*
H221	0.3488	−0.0299	0.4231	0.0459*
H191	0.4842	0.3832	0.5589	0.0407*
H111	0.9114	1.0645	0.3311	0.0377*
H171	0.4338	0.6804	0.5013	0.0351*
H61	1.0660	0.3593	0.4021	0.0354*