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. 2011 Feb 19;67(Pt 3):o659. doi: 10.1107/S1600536811005320
x y z Uiso*/Ueq
Br1 0.418223 (9) −0.36757 (5) 0.230618 (14) 0.01800 (9)
O1 0.33754 (6) −0.2340 (4) 0.04409 (11) 0.0205 (4)
O2 0.09326 (6) 0.3711 (4) 0.06453 (11) 0.0219 (4)
O3 0.12126 (7) 0.6341 (3) 0.15486 (11) 0.0224 (4)
N1 0.34163 (8) 0.0629 (4) 0.13870 (13) 0.0177 (5)
N2 0.12933 (8) 0.4612 (4) 0.11152 (12) 0.0175 (5)
C1 0.44903 (10) −0.3344 (5) 0.05532 (15) 0.0205 (6)
H1A 0.4520 −0.2507 0.0008 0.031*
H1B 0.4251 −0.4681 0.0461 0.031*
H1C 0.4860 −0.3844 0.0756 0.031*
C2 0.42421 (9) −0.1793 (5) 0.12266 (14) 0.0156 (5)
C3 0.46064 (9) 0.0238 (5) 0.14342 (16) 0.0209 (6)
H3A 0.4986 −0.0283 0.1564 0.031*
H3B 0.4465 0.1044 0.1937 0.031*
H3C 0.4605 0.1275 0.0937 0.031*
C4 0.36323 (9) −0.1220 (5) 0.09765 (14) 0.0143 (5)
C5 0.28757 (9) 0.1555 (5) 0.12844 (14) 0.0133 (5)
C6 0.24391 (9) 0.0415 (5) 0.08499 (14) 0.0156 (5)
H6 0.2497 −0.1040 0.0595 0.019*
C7 0.19187 (9) 0.1446 (5) 0.07971 (14) 0.0154 (5)
H7 0.1618 0.0700 0.0503 0.018*
C8 0.18422 (9) 0.3543 (5) 0.11722 (14) 0.0135 (5)
C9 0.22692 (9) 0.4702 (5) 0.16051 (14) 0.0158 (5)
H9 0.2208 0.6157 0.1857 0.019*
C10 0.27856 (9) 0.3680 (5) 0.16594 (14) 0.0150 (5)
H10 0.3083 0.4438 0.1957 0.018*
H1N 0.3624 (11) 0.132 (5) 0.1742 (17) 0.028 (8)*