x	y	z	Uiso*/Ueq
N1	0.2366 (5)	0.3584 (2)	0.50360 (15)	0.0385 (7)
H11	0.156 (5)	0.338 (3)	0.5251 (19)	0.046*
H12	0.271 (5)	0.307 (2)	0.4774 (17)	0.046*
C2	0.4021 (5)	0.3893 (3)	0.54630 (18)	0.0422 (9)
H2A	0.4540	0.3309	0.5699	0.051*
H2B	0.3611	0.4380	0.5805	0.051*
C3	0.5535 (5)	0.4355 (2)	0.50113 (17)	0.0351 (8)
H3A	0.6611	0.4572	0.5290	0.042*
H3B	0.5993	0.3855	0.4686	0.042*
N4	0.4745 (4)	0.52259 (19)	0.46388 (14)	0.0323 (7)
C5	0.3155 (5)	0.4908 (2)	0.42030 (18)	0.0356 (9)
H5A	0.3607	0.4421	0.3868	0.043*
H5B	0.2651	0.5488	0.3957	0.043*
C6	0.1594 (5)	0.4441 (3)	0.4630 (2)	0.0446 (10)
H6A	0.1064	0.4946	0.4938	0.054*
H6B	0.0574	0.4203	0.4334	0.054*
C21	0.6096 (5)	0.5876 (2)	0.43291 (17)	0.0318 (8)
C22	0.7393 (5)	0.6421 (2)	0.47504 (16)	0.0353 (7)
C23	0.8583 (5)	0.7139 (3)	0.4459 (2)	0.0493 (10)
H23	0.9422	0.7502	0.4735	0.059*
C24	0.8539 (6)	0.7323 (3)	0.3762 (2)	0.0574 (11)
H24	0.9346	0.7808	0.3573	0.069*
C25	0.7323 (5)	0.6800 (3)	0.33479 (18)	0.0482 (9)
H25	0.7286	0.6931	0.2879	0.058*
C26	0.6140 (5)	0.6070 (3)	0.36316 (18)	0.0392 (9)
H26	0.5348	0.5698	0.3343	0.047*
O22	0.7279 (4)	0.62323 (15)	0.54385 (11)	0.0412 (6)
C27	0.8382 (6)	0.6854 (3)	0.58800 (19)	0.0531 (11)
H27A	0.9718	0.6758	0.5784	0.080*
H27B	0.8126	0.6675	0.6348	0.080*
H27C	0.8048	0.7549	0.5806	0.080*
C31	0.0331 (5)	0.3548 (2)	0.67134 (16)	0.0357 (8)
C32	0.1964 (5)	0.3120 (3)	0.69802 (18)	0.0444 (9)
Br32	0.23614 (7)	0.16981 (3)	0.68887 (3)	0.0746 (2)
C33	0.3352 (6)	0.3685 (4)	0.7308 (2)	0.0629 (13)
H33	0.4435	0.3377	0.7491	0.076*
C34	0.3097 (7)	0.4713 (4)	0.7360 (2)	0.0712 (15)
H34	0.4033	0.5110	0.7566	0.085*
C35	0.1467 (8)	0.5153 (4)	0.7107 (2)	0.0685 (14)
H35	0.1279	0.5845	0.7158	0.082*
C36	0.0120 (6)	0.4583 (3)	0.6783 (2)	0.0527 (10)
H36	−0.0964	0.4895	0.6605	0.063*
C37	−0.1145 (5)	0.2952 (3)	0.6315 (2)	0.0397 (9)
O31	−0.0853 (3)	0.29029 (17)	0.56785 (12)	0.0409 (6)
O32	−0.2506 (4)	0.2563 (2)	0.66127 (13)	0.0792 (9)