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. 2008 Jun 13;64(Pt 7):o1267–o1268. doi: 10.1107/S1600536808017431
x y z Uiso*/Ueq
O1 0.14701 (12) 0.92970 (17) −0.07457 (11) 0.0202 (3)
O2 0.15836 (12) 0.51412 (17) 0.17362 (12) 0.0215 (3)
H2A 0.1147 0.4506 0.1998 0.032*
O3 0.59393 (12) 0.49859 (16) 0.32385 (11) 0.0178 (3)
O4 0.59920 (14) 0.30211 (18) 0.21195 (12) 0.0249 (3)
O5 0.05304 (14) 1.03697 (19) 0.33979 (13) 0.0281 (3)
H5A 0.0630 1.1155 0.3046 0.042*
O6 0.09281 (15) 0.89163 (19) 0.52750 (12) 0.0286 (3)
O7 0.23735 (14) 0.75766 (18) 0.45318 (12) 0.0254 (3)
O8 0.63962 (14) 0.8207 (2) 0.61555 (13) 0.0307 (4)
C1 0.09219 (16) 0.6289 (2) 0.11769 (16) 0.0174 (3)
H1A 0.0221 0.5819 0.0869 0.021*
C2 0.05482 (16) 0.7551 (2) 0.19977 (16) 0.0176 (3)
C3 0.16498 (16) 0.8467 (2) 0.22950 (15) 0.0157 (3)
H3A 0.2238 0.7719 0.2495 0.019*
C4 0.21274 (15) 0.9309 (2) 0.12163 (15) 0.0148 (3)
C5 0.16505 (15) 0.8578 (2) 0.01271 (16) 0.0168 (3)
C6 0.16287 (16) 0.6893 (2) 0.01549 (16) 0.0165 (3)
H6A 0.1268 0.6532 −0.0552 0.020*
C7 0.29236 (15) 0.6434 (2) 0.01551 (15) 0.0160 (3)
H7A 0.2981 0.5369 0.0322 0.019*
H7B 0.3227 0.6592 −0.0602 0.019*
C8 0.36654 (15) 0.7287 (2) 0.10020 (15) 0.0153 (3)
C9 0.34658 (16) 0.8973 (2) 0.10259 (16) 0.0162 (3)
H9A 0.3632 0.9326 0.0254 0.019*
C10 0.43068 (17) 0.9823 (2) 0.18131 (17) 0.0199 (4)
H10A 0.4973 1.0128 0.1376 0.024*
H10B 0.3932 1.0726 0.2086 0.024*
C11 0.47154 (16) 0.8905 (2) 0.28303 (16) 0.0189 (4)
H11A 0.4065 0.8699 0.3320 0.023*
H11B 0.5275 0.9485 0.3265 0.023*
C12 0.52646 (15) 0.7415 (2) 0.24632 (15) 0.0150 (3)
C13 0.44704 (16) 0.6598 (2) 0.16417 (15) 0.0152 (3)
C14 0.46133 (16) 0.4901 (2) 0.15927 (15) 0.0171 (3)
H14A 0.3891 0.4444 0.1820 0.021*
H14B 0.4744 0.4619 0.0806 0.021*
C15 0.55661 (17) 0.4233 (2) 0.23106 (16) 0.0188 (4)
C16 0.53698 (15) 0.6395 (2) 0.35230 (15) 0.0156 (3)
H16A 0.4589 0.6161 0.3783 0.019*
C17 0.60331 (16) 0.7034 (2) 0.45044 (16) 0.0173 (3)
C18 0.72511 (18) 0.7205 (3) 0.46494 (18) 0.0241 (4)
H18A 0.7817 0.6882 0.4150 0.029*
C19 0.74236 (19) 0.7921 (3) 0.56442 (19) 0.0246 (4)
H19A 0.8142 0.8184 0.5942 0.030*
C20 0.55640 (19) 0.7630 (3) 0.54466 (18) 0.0284 (5)
H20A 0.4778 0.7646 0.5596 0.034*
C21 −0.04291 (17) 0.8461 (3) 0.14183 (18) 0.0234 (4)
H21A −0.1041 0.7793 0.1193 0.035*
H21B −0.0134 0.8963 0.0759 0.035*
H21C −0.0720 0.9192 0.1944 0.035*
C22 0.00204 (18) 0.6826 (2) 0.30642 (17) 0.0227 (4)
H22A −0.0592 0.6160 0.2839 0.034*
H22B −0.0280 0.7598 0.3550 0.034*
H22C 0.0605 0.6270 0.3468 0.034*
C23 0.15457 (18) 0.9491 (2) 0.33581 (15) 0.0196 (4)
H23A 0.2207 1.0177 0.3366 0.024*
C24 0.1553 (2) 0.8629 (2) 0.44867 (17) 0.0238 (4)
C25 0.2369 (2) 0.6683 (3) 0.55726 (19) 0.0297 (5)
H25A 0.2941 0.5906 0.5523 0.045*
H25B 0.1622 0.6236 0.5667 0.045*
H25C 0.2541 0.7318 0.6213 0.045*
C26 0.19021 (17) 1.0997 (2) 0.11612 (16) 0.0189 (4)
H26A 0.1087 1.1175 0.1091 0.028*
H26B 0.2287 1.1414 0.0513 0.028*
H26C 0.2190 1.1465 0.1844 0.028*
C27 0.64551 (17) 0.7674 (2) 0.19245 (17) 0.0207 (4)
H27A 0.6370 0.8298 0.1262 0.031*
H27B 0.6782 0.6725 0.1710 0.031*
H27C 0.6956 0.8161 0.2466 0.031*
O1W 0.01243 (14) 0.81352 (19) 0.74563 (13) 0.0267 (3)
H1W1 0.058 (2) 0.838 (4) 0.798 (2) 0.040*
H2W1 0.044 (2) 0.825 (4) 0.6819 (14) 0.040*