x	y	z	Uiso*/Ueq
Br1B	−0.40349 (5)	1.06722 (4)	0.30367 (2)	0.01682 (17)
Br1A	1.35506 (5)	0.17904 (4)	0.90000 (2)	0.01972 (17)
O3B	−0.0105 (3)	1.0670 (3)	0.23290 (16)	0.0159 (5)
O3A	0.9612 (3)	0.1908 (2)	0.96819 (15)	0.0164 (5)
O4B	0.2558 (3)	1.1441 (2)	0.20751 (16)	0.0204 (5)
O4A	0.6543 (3)	0.3227 (3)	1.02268 (16)	0.0223 (5)
O1A	0.5360 (3)	0.4837 (3)	0.70491 (16)	0.0210 (5)
O2A	0.7281 (3)	0.5390 (3)	0.56876 (16)	0.0184 (5)
O1B	0.4376 (3)	0.7142 (3)	0.47778 (18)	0.0219 (5)
O2B	0.2466 (4)	0.6594 (3)	0.61509 (17)	0.0220 (5)
C4A	0.8598 (4)	0.3942 (3)	0.7147 (2)	0.0113 (6)
C7B	0.2753 (5)	0.7246 (3)	0.5251 (2)	0.0141 (6)
C4B	0.1108 (5)	0.8140 (3)	0.4734 (2)	0.0138 (7)
C2A	0.9761 (5)	0.2599 (3)	0.8698 (2)	0.0135 (6)
C7A	0.6971 (5)	0.4759 (3)	0.6597 (2)	0.0125 (6)
C5A	1.0392 (5)	0.3920 (3)	0.6689 (2)	0.0150 (7)
H5A	1.0601	0.4358	0.6006	0.018*
C3A	0.8282 (5)	0.3270 (3)	0.8147 (2)	0.0134 (6)
H3A	0.7058	0.3274	0.8447	0.016*
C3B	0.1349 (5)	0.9014 (3)	0.3777 (2)	0.0127 (6)
H3B	0.2555	0.9065	0.3476	0.015*
C2B	−0.0179 (5)	0.9803 (3)	0.3272 (2)	0.0133 (7)
C5B	−0.0660 (5)	0.8083 (3)	0.5191 (2)	0.0153 (7)
H5B	−0.0822	0.7511	0.5846	0.018*
C6B	−0.2167 (5)	0.8863 (3)	0.4684 (2)	0.0153 (7)
H6B	−0.3375	0.8823	0.4987	0.018*
C1B	−0.1937 (5)	0.9706 (3)	0.3735 (2)	0.0148 (7)
C6A	1.1867 (5)	0.3251 (3)	0.7243 (2)	0.0155 (7)
H6A	1.3099	0.3221	0.6942	0.019*
C9A	0.7006 (6)	0.3967 (4)	1.0828 (3)	0.0285 (8)
H9A1	0.7188	0.3296	1.1481	0.043*
H9A2	0.5993	0.4899	1.0894	0.043*
H9A3	0.8157	0.4213	1.0522	0.043*
C8A	0.7818 (5)	0.1825 (4)	1.0171 (2)	0.0174 (7)
H8A1	0.7332	0.1324	0.9816	0.021*
H8A2	0.7952	0.1192	1.0847	0.021*
C8B	0.1691 (5)	1.0616 (4)	0.1787 (2)	0.0154 (7)
H8B1	0.2491	0.9549	0.1876	0.018*
H8B2	0.1561	1.1016	0.1077	0.018*
C1A	1.1533 (5)	0.2628 (3)	0.8237 (2)	0.0155 (7)
C9B	0.1791 (6)	1.3037 (4)	0.1746 (3)	0.0292 (8)
H9B1	0.1718	1.3290	0.1037	0.044*
H9B2	0.2588	1.3541	0.1875	0.044*
H9B3	0.0539	1.3378	0.2100	0.044*
H2A	0.634 (6)	0.593 (5)	0.541 (3)	0.035*
H2B	0.330 (6)	0.612 (5)	0.650 (3)	0.035*