x	y	z	Uiso*/Ueq
N1	0.6379 (3)	0.34876 (17)	0.41481 (15)	0.0371 (4)
H11	0.736 (3)	0.364 (2)	0.437 (2)	0.045*
H12	0.545 (4)	0.417 (2)	0.405 (2)	0.045*
C2	0.5540 (3)	0.2342 (2)	0.50290 (17)	0.0393 (4)
H2A	0.4957	0.2524	0.5752	0.047*
H2B	0.6580	0.1651	0.5168	0.047*
C3	0.4004 (3)	0.1942 (2)	0.46316 (17)	0.0405 (4)
H3A	0.3499	0.1181	0.5208	0.049*
H3B	0.2923	0.2609	0.4536	0.049*
N4	0.4884 (2)	0.16937 (15)	0.35326 (13)	0.0345 (3)
C5	0.5578 (3)	0.2859 (2)	0.26462 (17)	0.0414 (5)
H5A	0.4490	0.3523	0.2555	0.050*
H5B	0.6108	0.2700	0.1909	0.050*
C6	0.7146 (3)	0.3286 (2)	0.30021 (18)	0.0430 (5)
H6A	0.8271	0.2646	0.3039	0.052*
H6B	0.7570	0.4071	0.2428	0.052*
C21	0.3825 (3)	0.10145 (18)	0.31654 (17)	0.0354 (4)
C22	0.4854 (3)	0.0392 (2)	0.23523 (18)	0.0420 (5)
C23	0.3903 (4)	−0.0354 (2)	0.2031 (2)	0.0544 (6)
H23	0.4592	−0.0769	0.1499	0.065*
C24	0.1939 (4)	−0.0483 (2)	0.2498 (2)	0.0605 (7)
H24	0.1313	−0.0995	0.2288	0.073*
C25	0.0906 (4)	0.0141 (3)	0.3269 (2)	0.0594 (7)
H25	−0.0424	0.0064	0.3570	0.071*
C26	0.1844 (3)	0.0888 (2)	0.3602 (2)	0.0465 (5)
H26	0.1132	0.1309	0.4126	0.056*
O22	0.6793 (2)	0.05587 (18)	0.19524 (16)	0.0594 (5)
C27	0.7839 (4)	0.0197 (3)	0.0974 (2)	0.0694 (8)
H27A	0.9125	0.0472	0.0736	0.104*
H27B	0.7156	0.0583	0.0354	0.104*
H27C	0.7949	−0.0711	0.1166	0.104*
C31	0.9029 (3)	0.37755 (18)	0.70670 (17)	0.0344 (4)
C32	1.1047 (3)	0.3626 (2)	0.69034 (18)	0.0395 (4)
H32	1.1812	0.3648	0.6174	0.047*
C33	1.1957 (3)	0.3443 (2)	0.78032 (18)	0.0411 (5)
H33	1.3317	0.3347	0.7681	0.049*
C34	1.0812 (3)	0.34062 (19)	0.88832 (17)	0.0405 (5)
I34	1.21476 (3)	0.30958 (2)	1.02693 (2)	0.07326 (9)
C35	0.8796 (4)	0.3559 (2)	0.90646 (19)	0.0528 (6)
H35	0.8034	0.3533	0.9795	0.063*
C36	0.7913 (3)	0.3751 (2)	0.8158 (2)	0.0469 (5)
H36	0.6552	0.3865	0.8279	0.056*
C37	0.8053 (3)	0.39540 (18)	0.60869 (18)	0.0382 (4)
O31	0.9072 (2)	0.36274 (15)	0.52331 (13)	0.0466 (3)
O32	0.6270 (2)	0.43759 (15)	0.62045 (15)	0.0520 (4)