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. 2014 Feb 12;70(Pt 3):o288. doi: 10.1107/S1600536814001986
x y z Uiso*/Ueq
S1 0.24764 (3) 0.72454 (8) 0.12637 (3) 0.01824 (13)
N1 0.52964 (10) 1.0733 (3) 0.14394 (8) 0.0147 (3)
N2 0.42255 (10) 1.0996 (3) 0.17932 (8) 0.0169 (3)
N3 0.47003 (10) 0.7208 (3) 0.06126 (8) 0.0148 (3)
N4 0.32973 (10) 0.5624 (3) 0.05291 (8) 0.0151 (3)
N5 0.39014 (11) 0.3896 (3) −0.01293 (9) 0.0183 (3)
C1 0.70179 (12) 0.7950 (3) 0.20967 (10) 0.0170 (4)
H1A 0.6619 0.7724 0.2293 0.020*
C2 0.77591 (13) 0.6376 (3) 0.23027 (10) 0.0200 (4)
H2A 0.7865 0.5080 0.2642 0.024*
C3 0.83454 (13) 0.6682 (4) 0.20170 (10) 0.0211 (4)
H3A 0.8838 0.5570 0.2147 0.025*
C4 0.82082 (13) 0.8621 (3) 0.15408 (10) 0.0210 (4)
H4A 0.8617 0.8863 0.1355 0.025*
C5 0.74731 (12) 1.0206 (3) 0.13374 (10) 0.0190 (4)
H5A 0.7385 1.1538 0.1016 0.023*
C6 0.68604 (12) 0.9858 (3) 0.16023 (9) 0.0154 (3)
C7 0.60378 (12) 1.1554 (3) 0.13203 (10) 0.0176 (4)
H7A 0.6271 1.3124 0.1581 0.021*
H7B 0.5767 1.1826 0.0767 0.021*
C8 0.49754 (13) 1.1938 (3) 0.18504 (10) 0.0165 (4)
H8A 0.5274 1.3330 0.2149 0.020*
C9 0.46824 (11) 0.8869 (3) 0.10795 (9) 0.0133 (3)
C10 0.39805 (12) 0.5647 (3) 0.03571 (9) 0.0144 (3)
C11 0.33280 (12) 0.7292 (3) 0.10083 (9) 0.0138 (3)
C12 0.40253 (12) 0.9046 (3) 0.13023 (9) 0.0141 (3)
C13 0.19169 (13) 0.4383 (3) 0.08654 (10) 0.0186 (4)
H13A 0.2409 0.3215 0.0950 0.022*
H13B 0.1636 0.3806 0.1160 0.022*
C14 0.11669 (12) 0.4322 (3) 0.00268 (10) 0.0166 (4)
C15 0.10259 (13) 0.6128 (3) −0.04927 (10) 0.0198 (4)
H15A 0.1421 0.7504 −0.0327 0.024*
C16 0.03108 (13) 0.5934 (3) −0.12532 (11) 0.0221 (4)
H16A 0.0219 0.7190 −0.1601 0.027*
C17 −0.02712 (13) 0.3932 (3) −0.15127 (11) 0.0217 (4)
H17A −0.0761 0.3812 −0.2033 0.026*
C18 −0.01235 (13) 0.2113 (3) −0.09980 (11) 0.0217 (4)
H18A −0.0512 0.0726 −0.1168 0.026*
C19 0.05850 (13) 0.2296 (3) −0.02383 (11) 0.0196 (4)
H19A 0.0677 0.1032 0.0107 0.023*
H1N5 0.4310 (15) 0.370 (4) −0.0289 (12) 0.030 (6)*
H2N5 0.3390 (15) 0.304 (4) −0.0358 (12) 0.024 (6)*