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. 2012 Feb 29;68(Pt 3):o862. doi: 10.1107/S1600536812007301
x y z Uiso*/Ueq
S1 0.56616 (3) 0.52832 (7) 0.394981 (16) 0.01717 (12)
O1 0.35822 (8) −0.1192 (2) 0.25706 (5) 0.0181 (2)
N1 0.45653 (9) 0.1596 (2) 0.32532 (6) 0.0149 (2)
H1n 0.4357 (15) 0.305 (4) 0.4827 (11) 0.029 (5)*
N2 0.42228 (9) 0.2138 (2) 0.44293 (6) 0.0161 (2)
C1 0.37571 (11) −0.0266 (3) 0.31493 (7) 0.0150 (3)
C2 0.31942 (10) −0.0982 (3) 0.37768 (7) 0.0156 (3)
C3 0.24261 (10) −0.2920 (3) 0.37432 (7) 0.0173 (3)
H3 0.2250 −0.3722 0.3307 0.021*
C4 0.19179 (11) −0.3686 (3) 0.43408 (7) 0.0182 (3)
C5 0.22073 (11) −0.2484 (3) 0.49797 (7) 0.0195 (3)
H5 0.1871 −0.3001 0.5394 0.023*
C6 0.29690 (11) −0.0568 (3) 0.50213 (7) 0.0179 (3)
H6 0.3156 0.0210 0.5459 0.021*
C7 0.34592 (11) 0.0206 (3) 0.44129 (7) 0.0156 (3)
C9 0.47714 (10) 0.2888 (3) 0.38744 (7) 0.0149 (3)
C8 0.10873 (12) −0.5770 (3) 0.42997 (8) 0.0229 (3)
H8A 0.1314 −0.7176 0.3993 0.034*
H8B 0.0432 −0.5024 0.4110 0.034*
H8C 0.0976 −0.6465 0.4769 0.034*
C10 0.52338 (10) 0.2014 (3) 0.26589 (7) 0.0154 (3)
C11 0.60838 (11) 0.0364 (3) 0.25902 (8) 0.0188 (3)
H11 0.6233 −0.0942 0.2931 0.023*
C12 0.67148 (12) 0.0652 (3) 0.20130 (8) 0.0208 (3)
H12 0.7303 −0.0452 0.1959 0.025*
C13 0.64818 (11) 0.2554 (3) 0.15178 (7) 0.0208 (3)
H13 0.6910 0.2746 0.1124 0.025*
C14 0.56249 (12) 0.4182 (3) 0.15946 (7) 0.0217 (3)
H14 0.5471 0.5485 0.1254 0.026*
C15 0.49894 (11) 0.3912 (3) 0.21705 (7) 0.0193 (3)
H15 0.4400 0.5013 0.2225 0.023*