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. 2008 Nov 13;64(Pt 12):o2338. doi: 10.1107/S1600536808037008
x y z Uiso*/Ueq
O1 1.27580 (6) 0.77076 (7) −0.04714 (3) 0.01642 (8)
O2 0.75581 (8) 1.18850 (8) −0.38841 (3) 0.02159 (10)
O3 0.46360 (8) 1.16591 (9) −0.30724 (3) 0.02477 (11)
N1 1.08155 (7) 0.62939 (7) 0.10666 (3) 0.01228 (8)
N2 0.97488 (7) 0.71707 (7) 0.03900 (3) 0.01180 (8)
N3 0.65301 (8) 1.14188 (7) −0.31919 (3) 0.01517 (9)
C1 1.25937 (9) 0.43357 (8) 0.25978 (3) 0.01394 (9)
H1A 1.3528 0.4556 0.2105 0.017*
C2 1.32689 (9) 0.33958 (9) 0.33630 (4) 0.01558 (9)
H2A 1.4660 0.2992 0.3375 0.019*
C3 1.19044 (10) 0.30421 (9) 0.41173 (4) 0.01618 (10)
C4 0.98236 (10) 0.36711 (9) 0.40850 (4) 0.01732 (10)
H4A 0.8891 0.3455 0.4579 0.021*
C5 0.91322 (9) 0.46166 (9) 0.33225 (4) 0.01511 (9)
H5A 0.7744 0.5032 0.3313 0.018*
C6 1.05015 (8) 0.49509 (8) 0.25695 (3) 0.01205 (8)
C7 0.96681 (8) 0.59124 (8) 0.17866 (3) 0.01265 (9)
H7A 0.8259 0.6261 0.1809 0.015*
C8 1.08418 (8) 0.78209 (7) −0.03665 (3) 0.01124 (8)
C9 0.96283 (8) 0.87393 (7) −0.10826 (3) 0.01078 (8)
C10 0.74981 (8) 0.92155 (8) −0.09685 (3) 0.01259 (9)
H10A 0.6760 0.8932 −0.0428 0.015*
C11 0.64812 (8) 1.01101 (8) −0.16601 (3) 0.01320 (9)
H11A 0.5067 1.0435 −0.1589 0.016*
C12 0.76204 (8) 1.05088 (8) −0.24589 (3) 0.01220 (8)
C13 0.97361 (9) 1.00639 (8) −0.25947 (3) 0.01340 (9)
H13A 1.0465 1.0355 −0.3137 0.016*
C14 1.07314 (8) 0.91711 (8) −0.18969 (3) 0.01269 (9)
H14A 1.2148 0.8857 −0.1972 0.015*
C15 1.26554 (12) 0.20102 (11) 0.49388 (4) 0.02473 (13)
H15A 1.1517 0.1899 0.5386 0.037*
H15B 1.3687 0.2740 0.5096 0.037*
H15C 1.3242 0.0733 0.4859 0.037*
O1W 0.56488 (7) 0.60570 (7) 0.07749 (3) 0.01669 (8)
H1N2 0.8430 (12) 0.7058 (17) 0.0471 (8) 0.027 (3)*
H2W1 0.5907 (17) 0.4907 (12) 0.0684 (8) 0.031 (3)*
H1W1 0.4410 (13) 0.6364 (17) 0.0668 (8) 0.035 (3)*