x	y	z	Uiso*/Ueq
N1	0.3878 (4)	0.5725 (3)	0.62065 (16)	0.0514 (6)
H11	0.361 (5)	0.638 (5)	0.582 (2)	0.062*
H12	0.494 (5)	0.532 (5)	0.610 (2)	0.062*
C2	0.2490 (5)	0.4279 (4)	0.61017 (19)	0.0557 (8)
H2A	0.2421	0.3600	0.5504	0.067*
H2B	0.1318	0.4735	0.6198	0.067*
C3	0.2949 (4)	0.3139 (4)	0.67528 (18)	0.0471 (7)
H3A	0.2023	0.2204	0.6683	0.057*
H3B	0.4096	0.2641	0.6642	0.057*
N4	0.3062 (3)	0.4172 (3)	0.76485 (13)	0.0385 (5)
C5	0.4474 (4)	0.5584 (3)	0.77722 (17)	0.0424 (6)
H5A	0.5640	0.5108	0.7685	0.051*
H5B	0.4531	0.6256	0.8371	0.051*
C6	0.4075 (4)	0.6739 (4)	0.71261 (18)	0.0470 (7)
H6A	0.2968	0.7303	0.7252	0.056*
H6B	0.5051	0.7627	0.7193	0.056*
C21	0.3137 (3)	0.3252 (3)	0.83448 (17)	0.0375 (5)
C22	0.2745 (3)	0.4102 (3)	0.91928 (17)	0.0387 (6)
C23	0.2796 (4)	0.3234 (4)	0.98826 (19)	0.0470 (6)
H23	0.2571	0.3812	1.0443	0.056*
C24	0.3181 (4)	0.1505 (4)	0.9745 (2)	0.0549 (8)
H24	0.3210	0.0927	1.0212	0.066*
C25	0.3515 (5)	0.0658 (4)	0.8927 (2)	0.0556 (8)
H25	0.3747	−0.0506	0.8832	0.067*
C26	0.3511 (4)	0.1526 (4)	0.8233 (2)	0.0473 (7)
H26	0.3765	0.0935	0.7680	0.057*
O22	0.2276 (3)	0.5771 (2)	0.92653 (12)	0.0505 (5)
C27	0.2084 (4)	0.6742 (4)	1.01265 (19)	0.0504 (7)
H27A	0.1755	0.7884	1.0087	0.076*
H27B	0.3209	0.6814	1.0488	0.076*
H27C	0.1156	0.6182	1.0386	0.076*
C31	0.2104 (4)	0.8486 (4)	0.38246 (18)	0.0423 (6)
C32	0.1691 (5)	0.7880 (4)	0.2931 (2)	0.0552 (8)
H32	0.1715	0.6704	0.2697	0.066*
C33	0.1240 (5)	0.8992 (4)	0.2376 (2)	0.0574 (8)
H33	0.0956	0.8571	0.1774	0.069*
C34	0.1217 (4)	1.0726 (4)	0.27254 (19)	0.0457 (6)
Br34	0.06068 (5)	1.22764 (5)	0.19700 (2)	0.06693 (16)
C35	0.1596 (6)	1.1360 (4)	0.3608 (2)	0.0713 (11)
H35	0.1558	1.2533	0.3841	0.086*
C36	0.2042 (6)	1.0211 (4)	0.4153 (2)	0.0703 (11)
H36	0.2305	1.0633	0.4756	0.084*
C37	0.2644 (4)	0.7278 (4)	0.4432 (2)	0.0506 (7)
O31	0.2859 (5)	0.7932 (3)	0.52394 (16)	0.0910 (10)
O32	0.2844 (4)	0.5748 (3)	0.41048 (16)	0.0653 (6)