x	y	z	Uiso*/Ueq
Br1	0.36490 (6)	0.90306 (8)	0.92345 (4)	0.01479 (13)
O1	1.1176 (6)	0.5163 (3)	0.7609 (4)	0.0196 (7)
O2	0.8106 (6)	0.4779 (3)	0.5270 (4)	0.0187 (7)
O3	0.8665 (6)	0.8262 (3)	0.5653 (4)	0.0226 (7)
O1W	1.1602 (8)	0.5964 (4)	1.1565 (6)	0.0196 (9)
H1W	1.274 (8)	0.536 (4)	1.147 (7)	0.024*
H2W	1.059 (10)	0.541 (5)	1.193 (7)	0.024*
N1	0.8287 (9)	0.7034 (5)	0.8580 (6)	0.0124 (9)
H1N	0.716 (8)	0.749 (4)	0.903 (6)	0.015*
H2N	0.951 (8)	0.757 (4)	0.836 (6)	0.015*
H3N	0.932 (8)	0.663 (5)	0.947 (4)	0.015*
N2	0.5699 (7)	0.7822 (4)	0.3244 (4)	0.0169 (8)
C1	0.8998 (8)	0.5314 (4)	0.6731 (5)	0.0124 (8)
C2	0.6900 (8)	0.6143 (4)	0.7242 (5)	0.0109 (8)
H1	0.5765	0.5549	0.7729	0.013*
C3	0.5124 (8)	0.6858 (4)	0.5811 (5)	0.0130 (8)
H2	0.4071	0.6215	0.5044	0.016*
H3	0.3884	0.7411	0.6243	0.016*
C4	0.6627 (8)	0.7697 (4)	0.4866 (5)	0.0132 (8)
H1H	0.938 (9)	0.428 (5)	0.509 (8)	0.046 (18)*
H4N	0.645 (9)	0.837 (4)	0.265 (5)	0.016 (12)*
H5N	0.431 (7)	0.733 (4)	0.276 (6)	0.016 (14)*