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. 2010 Oct 20;66(Pt 11):o2844. doi: 10.1107/S1600536810040559
x y z Uiso*/Ueq
O1 0.24626 (15) 0.50024 (12) 0.49296 (13) 0.0165 (3)
H1 0.268 (3) 0.497 (2) 0.569 (3) 0.033 (7)*
O2 0.06839 (14) 0.62132 (11) 0.52267 (11) 0.0136 (3)
O3 0.03989 (15) 0.49267 (12) 0.71017 (12) 0.0160 (3)
H3 0.045 (3) 0.538 (3) 0.656 (3) 0.043 (9)*
O4 0.28533 (14) 0.46600 (12) 0.72943 (11) 0.0137 (3)
C1 0.2006 (2) 0.60463 (17) 0.47181 (17) 0.0141 (4)
C2 0.1560 (2) 0.62872 (17) 0.34601 (17) 0.0153 (4)
C3 0.2186 (2) 0.59756 (17) 0.25570 (17) 0.0178 (4)
C4 0.1634 (3) 0.6348 (2) 0.13744 (18) 0.0266 (5)
H4A 0.0671 0.6656 0.1381 0.040*
H4B 0.1584 0.5741 0.0846 0.040*
H4C 0.2287 0.6890 0.1125 0.040*
C5 0.3508 (2) 0.52777 (19) 0.2618 (2) 0.0231 (5)
H5A 0.3878 0.5157 0.3421 0.035*
H5B 0.4248 0.5631 0.2226 0.035*
H5C 0.3257 0.4592 0.2248 0.035*
C6 0.0287 (2) 0.70366 (17) 0.34497 (17) 0.0171 (4)
H6A −0.0595 0.6710 0.3051 0.020*
H6B 0.0476 0.7719 0.3070 0.020*
C7 0.0140 (2) 0.72101 (17) 0.47172 (17) 0.0144 (4)
C8 −0.1354 (2) 0.74213 (18) 0.50599 (18) 0.0188 (4)
H8 −0.1786 0.8026 0.4584 0.023*
C9 −0.2388 (2) 0.6479 (2) 0.4898 (2) 0.0252 (5)
H9A −0.2524 0.6276 0.4089 0.038*
H9B −0.3317 0.6681 0.5145 0.038*
H9C −0.1987 0.5874 0.5356 0.038*
C10 −0.1057 (2) 0.7814 (2) 0.62979 (19) 0.0231 (5)
H10A −0.0960 0.7204 0.6834 0.028*
H10B −0.1851 0.8277 0.6495 0.028*
C11 0.0359 (2) 0.84454 (19) 0.63593 (19) 0.0232 (5)
H11A 0.1000 0.8254 0.7057 0.028*
H11B 0.0168 0.9222 0.6371 0.028*
C12 0.1062 (2) 0.81353 (17) 0.52712 (17) 0.0169 (4)
H12 0.0964 0.8756 0.4734 0.020*
C13 0.2640 (2) 0.78423 (17) 0.54836 (17) 0.0165 (4)
C14 0.3074 (2) 0.68708 (17) 0.52234 (17) 0.0153 (4)
H14 0.4067 0.6693 0.5357 0.018*
C15 0.3668 (2) 0.86938 (19) 0.5957 (2) 0.0242 (5)
H15A 0.4647 0.8402 0.6069 0.036*
H15B 0.3395 0.8942 0.6692 0.036*
H15C 0.3634 0.9293 0.5420 0.036*
C16 0.1638 (2) 0.50276 (17) 0.78584 (16) 0.0139 (4)
C17 0.1685 (2) 0.42847 (17) 0.88859 (17) 0.0151 (4)
C18 0.0631 (2) 0.40510 (18) 0.95131 (17) 0.0185 (4)
C19 0.0876 (2) 0.3318 (2) 1.0536 (2) 0.0269 (5)
H19A 0.1859 0.3035 1.0596 0.040*
H19B 0.0187 0.2726 1.0443 0.040*
H19C 0.0740 0.3717 1.1232 0.040*
C20 −0.0861 (2) 0.4506 (2) 0.9308 (2) 0.0283 (6)
H20A −0.0908 0.5024 0.8681 0.042*
H20B −0.1099 0.4861 1.0004 0.042*
H20C −0.1552 0.3930 0.9105 0.042*
C21 0.3243 (2) 0.39168 (18) 0.91067 (17) 0.0173 (4)
H21A 0.3322 0.3138 0.8986 0.021*
H21B 0.3659 0.4092 0.9895 0.021*
C22 0.3990 (2) 0.45412 (18) 0.82278 (17) 0.0154 (4)
C23 0.5286 (2) 0.40276 (19) 0.77721 (18) 0.0199 (5)
H23 0.5990 0.3832 0.8444 0.024*
C24 0.4981 (3) 0.3034 (2) 0.7059 (2) 0.0280 (5)
H24A 0.4503 0.2504 0.7499 0.042*
H24B 0.5888 0.2738 0.6855 0.042*
H24C 0.4354 0.3213 0.6361 0.042*
C25 0.5938 (2) 0.4943 (2) 0.71440 (19) 0.0229 (5)
H25A 0.5450 0.5011 0.6356 0.027*
H25B 0.6977 0.4818 0.7105 0.027*
C26 0.5709 (2) 0.5955 (2) 0.7840 (2) 0.0247 (5)
H26A 0.5388 0.6555 0.7327 0.030*
H26B 0.6613 0.6162 0.8310 0.030*
C27 0.4527 (2) 0.56609 (18) 0.86173 (17) 0.0172 (4)
H27 0.4996 0.5604 0.9422 0.021*
C28 0.3310 (2) 0.64559 (18) 0.85997 (17) 0.0176 (4)
C29 0.1969 (2) 0.61599 (17) 0.82481 (17) 0.0160 (4)
H29 0.1210 0.6664 0.8241 0.019*
C30 0.3704 (3) 0.75649 (19) 0.9014 (2) 0.0253 (5)
H30A 0.2833 0.8004 0.8977 0.038*
H30B 0.4378 0.7880 0.8529 0.038*
H30C 0.4158 0.7532 0.9806 0.038*