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. 2009 May 7;65(Pt 6):o1202. doi: 10.1107/S1600536809016031
x y z Uiso*/Ueq
O1 0.1899 (5) 0.0137 (4) 0.74062 (6) 0.0764 (9)
C1 0.3668 (6) 0.3579 (5) 0.69846 (8) 0.0572 (10)
H1A 0.4315 0.4572 0.7040 0.069*
H1B 0.2418 0.3845 0.6893 0.069*
C2 0.3299 (6) 0.2576 (5) 0.72419 (7) 0.0568 (10)
H2A 0.4552 0.2323 0.7333 0.068*
H2B 0.2495 0.3172 0.7377 0.068*
C3 0.2278 (5) 0.1084 (5) 0.71638 (7) 0.0492 (9)
H3 0.1000 0.1371 0.7078 0.059*
C4 0.3393 (6) 0.0070 (5) 0.69525 (8) 0.0551 (9)
C5 0.3954 (4) 0.1124 (4) 0.67005 (7) 0.0378 (7)
H5 0.2685 0.1453 0.6617 0.045*
C6 0.5016 (5) 0.0263 (4) 0.64634 (7) 0.0464 (8)
H6A 0.6274 −0.0143 0.6533 0.056*
H6B 0.4226 −0.0644 0.6400 0.056*
C7 0.5368 (5) 0.1368 (4) 0.62185 (7) 0.0413 (7)
H7A 0.4116 0.1830 0.6158 0.050*
H7B 0.5910 0.0766 0.6059 0.050*
C8 0.6778 (4) 0.2694 (4) 0.62975 (6) 0.0358 (7)
H8 0.8029 0.2161 0.6346 0.043*
C9 0.6145 (4) 0.3558 (4) 0.65634 (7) 0.0386 (7)
C10 0.4960 (5) 0.2668 (4) 0.67803 (7) 0.0440 (8)
C11 0.5894 (5) 0.5305 (4) 0.65498 (8) 0.0495 (9)
H11A 0.6105 0.5725 0.6741 0.059*
H11B 0.4521 0.5517 0.6501 0.059*
C12 0.7169 (5) 0.6262 (4) 0.63488 (8) 0.0477 (8)
H12A 0.6320 0.6915 0.6228 0.057*
H12B 0.8000 0.6981 0.6460 0.057*
C13 0.8457 (4) 0.5251 (3) 0.61633 (7) 0.0356 (7)
C14 0.7264 (4) 0.3812 (4) 0.60557 (6) 0.0340 (7)
C15 0.8613 (5) 0.3116 (4) 0.58314 (7) 0.0423 (8)
H15A 0.7849 0.2573 0.5685 0.051*
H15B 0.9528 0.2353 0.5916 0.051*
C16 0.9722 (4) 0.4519 (3) 0.57066 (7) 0.0385 (7)
H16A 0.9337 0.4684 0.5509 0.046*
H16B 1.1140 0.4324 0.5713 0.046*
C17 0.9196 (4) 0.5982 (4) 0.58850 (7) 0.0376 (7)
H17 0.8054 0.6495 0.5793 0.045*
C18 1.0218 (4) 0.4705 (4) 0.63395 (7) 0.0453 (8)
H18A 1.1016 0.5618 0.6389 0.068*
H18B 1.0999 0.3962 0.6230 0.068*
H18C 0.9756 0.4190 0.6511 0.068*
C19 0.7061 (6) 0.2835 (7) 0.68323 (9) 0.0694 (12)
H19A 0.7885 0.1889 0.6810 0.083*
H19B 0.7477 0.3565 0.6982 0.083*
C20 1.0867 (5) 0.7216 (4) 0.58896 (7) 0.0425 (8)
H20 1.2018 0.6733 0.5984 0.051*
C21 1.0257 (6) 0.8684 (4) 0.60564 (9) 0.0600 (10)
H21A 0.9018 0.9081 0.5984 0.090*
H21B 1.1256 0.9499 0.6037 0.090*
H21C 1.0110 0.8408 0.6255 0.090*
C22 1.1457 (5) 0.7682 (4) 0.55941 (8) 0.0480 (8)
H22A 1.1622 0.6712 0.5482 0.058*
H22B 1.0381 0.8290 0.5509 0.058*
C23 1.3292 (5) 0.8639 (5) 0.55714 (9) 0.0565 (10)
H23A 1.4376 0.8030 0.5654 0.068*
H23B 1.3136 0.9609 0.5684 0.068*
C24 1.3838 (5) 0.9098 (4) 0.52733 (9) 0.0519 (9)
H24 1.3963 0.8103 0.5163 0.062*
C25 1.2306 (5) 1.0072 (4) 0.51349 (7) 0.0461 (8)
C26 1.1536 (7) 0.9661 (6) 0.48956 (9) 0.0729 (12)
H26A 1.0581 1.0309 0.4810 0.087*
H26B 1.1933 0.8713 0.4807 0.087*
C27 1.1717 (8) 1.1550 (5) 0.52792 (10) 0.0734 (13)
H27A 1.2838 1.2256 0.5293 0.110*
H27B 1.1243 1.1302 0.5468 0.110*
H27C 1.0681 1.2065 0.5172 0.110*
C28 1.5849 (6) 0.9932 (6) 0.52652 (11) 0.0741 (13)
H28A 1.6225 1.0121 0.5070 0.111*
H28B 1.6824 0.9262 0.5356 0.111*
H28C 1.5765 1.0937 0.5365 0.111*
C29 0.0543 (8) 0.0814 (7) 0.75927 (9) 0.0874 (16)
H29A 0.1197 0.1600 0.7710 0.131*
H29B −0.0011 −0.0008 0.7712 0.131*
H29C −0.0499 0.1320 0.7486 0.131*
C30 0.5252 (9) −0.0656 (7) 0.70874 (11) 0.108 (2)
H30A 0.6043 0.0183 0.7170 0.162*
H30B 0.6008 −0.1204 0.6943 0.162*
H30C 0.4874 −0.1403 0.7234 0.162*
C31 0.2096 (9) −0.1271 (6) 0.68548 (10) 0.0895 (17)
H31A 0.1750 −0.1933 0.7015 0.134*
H31B 0.2790 −0.1904 0.6716 0.134*
H31C 0.0911 −0.0839 0.6771 0.134*
C32 0.5379 (4) 0.4347 (4) 0.59071 (7) 0.0451 (8)
H32A 0.4765 0.3441 0.5816 0.068*
H32B 0.5695 0.5143 0.5766 0.068*
H32C 0.4484 0.4796 0.6045 0.068*