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. 2011 Feb 23;67(Pt 3):o686. doi: 10.1107/S1600536811005708
x y z Uiso*/Ueq
O1 −0.00430 (12) 0.14533 (7) 0.45345 (16) 0.0536 (4)
N1 0.18296 (12) 0.21738 (7) 0.59909 (15) 0.0366 (3)
C1 0.08388 (13) 0.26071 (8) 0.51522 (17) 0.0344 (4)
C2 −0.01386 (14) 0.22085 (9) 0.43872 (19) 0.0400 (4)
C3 −0.10912 (16) 0.26008 (12) 0.3561 (2) 0.0529 (6)
C4 −0.10434 (19) 0.33740 (12) 0.3498 (3) 0.0592 (6)
C5 −0.0059 (2) 0.37645 (11) 0.4229 (3) 0.0580 (6)
C6 0.08921 (16) 0.33785 (9) 0.5076 (2) 0.0450 (5)
C7 −0.1013 (2) 0.10034 (13) 0.3781 (3) 0.0712 (8)
O2 0.30956 (10) 0.18764 (5) 0.31638 (13) 0.0372 (3)
O3 0.18239 (12) 0.01420 (9) 0.30014 (18) 0.0662 (5)
O4 0.26170 (13) 0.05325 (8) 0.53302 (15) 0.0569 (4)
O5 0.43465 (12) −0.06180 (6) 0.30043 (17) 0.0508 (4)
O6 0.64034 (12) −0.08887 (6) 0.14078 (16) 0.0519 (4)
O7 0.76246 (12) 0.00182 (7) 0.07391 (18) 0.0585 (4)
O8 0.63270 (16) 0.25143 (8) 0.0819 (3) 0.0929 (7)
O9 0.46083 (14) 0.28678 (7) 0.1770 (3) 0.0813 (7)
N2 0.26692 (12) 0.04141 (7) 0.38421 (16) 0.0376 (4)
N3 0.66485 (12) −0.02118 (7) 0.12862 (16) 0.0405 (4)
N4 0.53537 (12) 0.23793 (7) 0.14816 (19) 0.0428 (4)
C8 0.39391 (12) 0.14238 (7) 0.27345 (16) 0.0299 (3)
C9 0.38107 (13) 0.06399 (7) 0.30251 (17) 0.0323 (4)
C10 0.46368 (14) 0.00851 (7) 0.26041 (18) 0.0346 (4)
C11 0.57235 (13) 0.03198 (8) 0.17977 (18) 0.0346 (4)
C12 0.59200 (13) 0.10722 (8) 0.14638 (18) 0.0353 (4)
C13 0.50678 (13) 0.16065 (7) 0.19047 (17) 0.0326 (4)
H1A 0.23360 0.19870 0.52400 0.0550*
H1B 0.14930 0.18000 0.65560 0.0550*
H1C 0.22640 0.24700 0.66890 0.0550*
H3 −0.17580 0.23450 0.30530 0.0630*
H4 −0.16870 0.36360 0.29510 0.0710*
H5A −0.00330 0.42850 0.41560 0.0700*
H6 0.15570 0.36370 0.55850 0.0540*
H7A −0.17980 0.11290 0.42510 0.1070*
H7B −0.08320 0.04830 0.39790 0.1070*
H7C −0.10580 0.10960 0.26060 0.1070*
H5 0.49030 −0.09010 0.27160 0.0760*
H12 0.66400 0.12170 0.09330 0.0420*