x	y	z	Uiso*/Ueq
S1	0.37873 (6)	−0.13735 (5)	0.83964 (4)	0.05278 (17)
N1	0.45104 (18)	0.12730 (17)	0.77931 (11)	0.0483 (4)
H1N	0.4545	0.2261	0.7785	0.058*
H2N	0.4887	0.0771	0.7417	0.058*
N2	0.33167 (17)	0.15159 (16)	0.89088 (10)	0.0415 (3)
H2	0.3490	0.2470	0.8830	0.050*
N3	0.25238 (15)	−0.02567 (16)	0.99381 (10)	0.0372 (3)
H3N	0.2705	−0.1020	0.9695	0.045*
N4	0.22253 (15)	0.22080 (16)	1.00973 (10)	0.0394 (3)
H4N	0.2267	0.3140	0.9987	0.047*
C1	0.38850 (19)	0.0537 (2)	0.83586 (12)	0.0383 (4)
C2	0.27105 (19)	0.11420 (19)	0.96112 (12)	0.0366 (4)
C3	0.19110 (17)	−0.00866 (19)	1.06892 (11)	0.0348 (4)
C4	0.1550 (2)	−0.1157 (2)	1.12841 (13)	0.0421 (4)
H4	0.1668	−0.2207	1.1213	0.051*
C5	0.1006 (2)	−0.0573 (2)	1.19897 (14)	0.0475 (4)
H5	0.0780	−0.1248	1.2418	0.057*
C6	0.0785 (2)	0.1001 (2)	1.20790 (14)	0.0487 (4)
H6	0.0397	0.1343	1.2556	0.058*
C7	0.11296 (19)	0.2059 (2)	1.14772 (13)	0.0445 (4)
H7	0.0972	0.3106	1.1531	0.053*
C8	0.17212 (18)	0.14874 (18)	1.07901 (12)	0.0360 (4)
O1	0.44295 (16)	0.44905 (15)	0.86287 (10)	0.0522 (3)
H1O	0.5262	0.4440	0.9042	0.078*
H2O	0.3841	0.4980	0.8881	0.078*
Cl1	0.23786 (6)	0.57314 (5)	0.98063 (4)	0.05321 (17)