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. 2011 Oct 29;67(Pt 11):o3046–o3047. doi: 10.1107/S1600536811043480
x y z Uiso*/Ueq
O1 0.12002 (5) 0.68767 (10) 0.34643 (6) 0.0281 (2)
O2 0.39969 (6) 0.75816 (11) 0.64285 (6) 0.0345 (3)
O3 0.25635 (6) 0.44822 (11) 0.04549 (6) 0.0378 (3)
N1 −0.12627 (9) 0.69465 (18) 0.39894 (12) 0.0612 (5)
N2 0.02878 (9) 0.99105 (17) 0.32599 (10) 0.0516 (4)
N3 −0.05524 (8) 0.37366 (16) 0.41384 (10) 0.0507 (4)
C1 −0.07014 (10) 0.71929 (18) 0.38148 (11) 0.0423 (4)
C2 0.00032 (8) 0.74932 (16) 0.36127 (9) 0.0325 (3)
C3 0.01570 (9) 0.88387 (18) 0.34204 (10) 0.0374 (4)
C4 0.12121 (8) 0.46134 (15) 0.37889 (9) 0.0279 (3)
C5 0.17157 (8) 0.57042 (14) 0.35864 (9) 0.0259 (3)
C6 0.05397 (8) 0.65399 (15) 0.36280 (9) 0.0277 (3)
C7 0.05349 (8) 0.51294 (15) 0.38106 (9) 0.0285 (3)
C8 −0.00822 (9) 0.43825 (16) 0.39840 (10) 0.0350 (4)
C9 0.14590 (10) 0.32107 (15) 0.39324 (11) 0.0385 (4)
H9A 0.1042 0.2675 0.4045 0.058*
H9B 0.1895 0.3157 0.4433 0.058*
H9C 0.1603 0.2873 0.3414 0.058*
C10 0.23631 (8) 0.60639 (14) 0.43524 (9) 0.0256 (3)
C11 0.30259 (8) 0.66571 (15) 0.42418 (9) 0.0290 (3)
H11 0.3107 0.6735 0.3673 0.035*
C12 0.35666 (8) 0.71334 (15) 0.49400 (9) 0.0305 (3)
H12 0.4020 0.7517 0.4852 0.037*
C13 0.34456 (8) 0.70514 (15) 0.57738 (9) 0.0290 (3)
C14 0.27911 (8) 0.64498 (15) 0.58974 (9) 0.0306 (3)
H14 0.2708 0.6379 0.6465 0.037*
C15 0.22617 (8) 0.59547 (15) 0.51933 (9) 0.0293 (3)
H15 0.1820 0.5531 0.5285 0.035*
C16 0.38713 (9) 0.74530 (18) 0.72893 (9) 0.0399 (4)
H16A 0.3792 0.6507 0.7413 0.048*
H16B 0.3410 0.7951 0.7326 0.048*
C17 0.45409 (9) 0.79826 (16) 0.79476 (9) 0.0332 (4)
C18 0.51398 (10) 0.71623 (18) 0.83300 (10) 0.0405 (4)
H18 0.5142 0.6262 0.8152 0.049*
C19 0.57374 (10) 0.76491 (19) 0.89730 (11) 0.0444 (4)
H19 0.6151 0.7087 0.9226 0.053*
C20 0.57305 (10) 0.89412 (19) 0.92428 (11) 0.0432 (4)
H20 0.6135 0.9268 0.9690 0.052*
C21 0.51405 (9) 0.97639 (19) 0.88694 (11) 0.0441 (4)
H21 0.5137 1.0660 0.9055 0.053*
C22 0.45512 (9) 0.92836 (17) 0.82220 (11) 0.0386 (4)
H22 0.4146 0.9859 0.7962 0.046*
C23 0.19339 (8) 0.54421 (14) 0.27323 (9) 0.0258 (3)
C24 0.15600 (8) 0.60416 (15) 0.19629 (9) 0.0285 (3)
H24 0.1167 0.6662 0.1968 0.034*
C25 0.17488 (8) 0.57509 (15) 0.11830 (9) 0.0305 (3)
H25 0.1488 0.6172 0.0661 0.037*
C26 0.23175 (8) 0.48458 (15) 0.11714 (9) 0.0288 (3)
C27 0.26916 (8) 0.42278 (15) 0.19397 (9) 0.0306 (3)
H27 0.3078 0.3596 0.1932 0.037*
C28 0.25050 (8) 0.45259 (15) 0.27101 (9) 0.0292 (3)
H28 0.2767 0.4104 0.3232 0.035*
C29 0.22598 (9) 0.51569 (16) −0.03469 (9) 0.0341 (4)
H29A 0.2287 0.6130 −0.0258 0.041*
H29B 0.1723 0.4905 −0.0581 0.041*
C30 0.27319 (10) 0.47451 (15) −0.09672 (10) 0.0356 (4)
C31 0.35127 (10) 0.46188 (17) −0.06759 (11) 0.0431 (4)
H31 0.3750 0.4812 −0.0087 0.052*
C32 0.39502 (12) 0.42104 (19) −0.12404 (13) 0.0551 (5)
H32 0.4483 0.4109 −0.1035 0.066*
C33 0.36105 (14) 0.39554 (19) −0.20918 (14) 0.0607 (6)
H33 0.3909 0.3671 −0.2476 0.073*
C34 0.28422 (15) 0.41071 (18) −0.23958 (12) 0.0569 (6)
H34 0.2612 0.3942 −0.2991 0.068*
C35 0.23988 (12) 0.45034 (16) −0.18336 (10) 0.0447 (4)
H35 0.1867 0.4608 −0.2046 0.054*