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. 2008 Jun 21;64(Pt 7):o1318–o1319. doi: 10.1107/S1600536808018485
x y z Uiso*/Ueq
O1 0.17228 (11) 0.0965 (3) 0.33490 (6) 0.0194 (4)
O2 0.02175 (11) 0.0646 (3) 0.31441 (6) 0.0205 (4)
O3 −0.03139 (11) 0.0282 (3) 0.22594 (6) 0.0225 (4)
O4 0.09157 (11) 0.0249 (3) 0.16058 (6) 0.0239 (4)
O5 0.23885 (11) 0.0985 (3) 0.18147 (6) 0.0226 (4)
O6 0.29382 (11) 0.1294 (3) 0.26846 (6) 0.0193 (4)
C1 0.11872 (16) 0.1717 (4) 0.36375 (8) 0.0179 (5)
C2 0.13993 (16) 0.2525 (4) 0.40216 (8) 0.0197 (5)
H2A 0.1944 0.2613 0.4099 0.024*
C3 0.07934 (18) 0.3210 (4) 0.42944 (8) 0.0220 (5)
H3A 0.0936 0.3756 0.4553 0.026*
C4 −0.00162 (18) 0.3077 (4) 0.41795 (9) 0.0233 (6)
H4A −0.0418 0.3546 0.4360 0.028*
C5 −0.02333 (17) 0.2239 (4) 0.37928 (8) 0.0208 (5)
H5A −0.0780 0.2141 0.3718 0.025*
C6 0.03588 (16) 0.1556 (4) 0.35220 (8) 0.0194 (5)
C7 −0.06112 (16) 0.0602 (4) 0.30033 (9) 0.0219 (5)
H7A −0.0794 0.1867 0.2934 0.026*
H7B −0.0958 0.0107 0.3227 0.026*
C8 −0.06605 (16) −0.0636 (4) 0.26173 (8) 0.0230 (6)
H8A −0.0373 −0.1808 0.2671 0.028*
H8B −0.1226 −0.0938 0.2559 0.028*
C9 −0.02913 (17) −0.0983 (5) 0.19033 (9) 0.0260 (6)
H9A −0.0838 −0.1413 0.1838 0.031*
H9B 0.0038 −0.2077 0.1973 0.031*
C10 0.00626 (17) 0.0008 (5) 0.15248 (9) 0.0264 (6)
H10A −0.0019 −0.0738 0.1269 0.032*
H10B −0.0197 0.1225 0.1485 0.032*
C11 0.13815 (17) 0.1008 (4) 0.12882 (8) 0.0208 (5)
C12 0.11157 (18) 0.1340 (4) 0.08740 (9) 0.0247 (6)
H12A 0.0577 0.1105 0.0799 0.030*
C13 0.16674 (19) 0.2032 (4) 0.05716 (9) 0.0278 (6)
H13A 0.1496 0.2247 0.0294 0.033*
C14 0.24573 (19) 0.2392 (4) 0.06832 (9) 0.0277 (6)
H14A 0.2819 0.2846 0.0480 0.033*
C15 0.27260 (18) 0.2088 (4) 0.10966 (9) 0.0243 (6)
H15A 0.3263 0.2346 0.1170 0.029*
C16 0.21896 (18) 0.1396 (4) 0.14004 (8) 0.0217 (5)
C17 0.32251 (16) 0.1243 (4) 0.19333 (9) 0.0234 (6)
H17A 0.3351 0.2577 0.1955 0.028*
H17B 0.3580 0.0686 0.1721 0.028*
C18 0.33476 (16) 0.0296 (4) 0.23549 (9) 0.0230 (6)
H18A 0.3142 −0.0986 0.2341 0.028*
H18B 0.3925 0.0238 0.2419 0.028*
C19 0.30305 (16) 0.0303 (4) 0.30759 (8) 0.0201 (5)
H19A 0.3603 0.0237 0.3150 0.024*
H19B 0.2829 −0.0977 0.3044 0.024*
C20 0.25708 (15) 0.1275 (4) 0.34246 (8) 0.0200 (5)
H20A 0.2726 0.0762 0.3699 0.024*
H20B 0.2690 0.2616 0.3423 0.024*
O7 0.04207 (12) 0.5129 (3) 0.14168 (6) 0.0255 (4)
H1O7 0.0768 0.5063 0.1676 0.038*
O8 −0.08444 (13) 0.6214 (3) 0.09050 (7) 0.0345 (5)
O9 −0.05274 (14) 0.4429 (4) 0.03674 (7) 0.0388 (6)
O10 0.18091 (15) 0.7752 (5) −0.03288 (7) 0.0483 (7)
O11 0.28256 (15) 0.8540 (4) 0.00640 (8) 0.0461 (7)
O12 0.28468 (13) 0.6902 (4) 0.15276 (8) 0.0399 (6)
O13 0.18305 (14) 0.5543 (4) 0.18259 (7) 0.0398 (6)
N1 −0.03549 (14) 0.5511 (4) 0.06579 (8) 0.0251 (5)
N2 0.21475 (14) 0.7882 (4) 0.00136 (8) 0.0273 (5)
N3 0.21571 (15) 0.6291 (3) 0.15208 (8) 0.0264 (5)
C21 0.08740 (17) 0.5840 (4) 0.11077 (8) 0.0219 (5)
C22 0.05087 (16) 0.6039 (4) 0.07059 (9) 0.0212 (5)
C23 0.09073 (16) 0.6653 (4) 0.03478 (9) 0.0215 (5)
H23A 0.0646 0.6701 0.0085 0.026*
C24 0.17102 (16) 0.7197 (4) 0.03915 (9) 0.0229 (5)
C25 0.21134 (16) 0.7102 (4) 0.07728 (9) 0.0228 (6)
H25A 0.2653 0.7486 0.0795 0.027*
C26 0.16965 (17) 0.6419 (4) 0.11252 (9) 0.0223 (5)
O14 0.20351 (12) 0.6284 (3) 0.35095 (6) 0.0259 (4)
H14B 0.1775 0.5883 0.3321 0.039*
O15 0.32541 (13) 0.5815 (4) 0.40398 (8) 0.0403 (6)
O16 0.33764 (14) 0.8326 (4) 0.44252 (8) 0.0440 (6)
O17 0.09655 (17) 1.0026 (4) 0.52185 (7) 0.0429 (6)
O18 −0.02186 (15) 0.9577 (3) 0.49381 (8) 0.0367 (5)
O19 −0.04855 (12) 0.6963 (3) 0.35674 (7) 0.0290 (5)
O20 0.05487 (13) 0.5990 (3) 0.32031 (6) 0.0302 (5)
N4 0.29744 (15) 0.7191 (4) 0.42194 (8) 0.0304 (6)
N5 0.05197 (17) 0.9451 (4) 0.49329 (8) 0.0299 (6)
N6 0.02454 (15) 0.6709 (3) 0.35237 (8) 0.0241 (5)
C27 0.16382 (16) 0.6979 (4) 0.38383 (8) 0.0195 (5)
C28 0.20853 (16) 0.7523 (4) 0.42021 (9) 0.0222 (5)
C29 0.17357 (18) 0.8335 (4) 0.45523 (9) 0.0245 (6)
H29A 0.2055 0.8720 0.4781 0.029*
C30 0.09002 (17) 0.8576 (4) 0.45611 (8) 0.0216 (5)
C31 0.04172 (17) 0.8047 (4) 0.42235 (9) 0.0206 (5)
H31A −0.0145 0.8201 0.4233 0.025*
C32 0.07929 (16) 0.7278 (4) 0.38689 (8) 0.0199 (5)
O1W 0.18431 (15) 0.4638 (4) 0.27295 (7) 0.0412 (6)
H1W1 0.2163 0.3723 0.2656 0.062*
H2W1 0.1914 0.5915 0.2655 0.062*
O2W 0.14735 (14) 0.8507 (3) 0.24985 (8) 0.0364 (5)
H1W2 0.1246 0.9207 0.2683 0.055*
H2W2 0.1497 0.9124 0.2267 0.055*
O3W 0.04390 (14) 0.3916 (3) 0.22039 (7) 0.0332 (5)
H1W3 0.0251 0.2805 0.2233 0.050*
H2W3 0.0825 0.4299 0.2411 0.050*