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. 2010 Apr 2;66(Pt 5):o1014. doi: 10.1107/S1600536810011748
x y z Uiso*/Ueq
C11 0.97782 (9) 0.4587 (2) 0.14742 (9) 0.0288 (4)
H11 0.9766 0.4313 0.1922 0.035*
C12 0.94763 (9) 0.3117 (2) 0.10526 (9) 0.0285 (4)
H12 0.9474 0.3357 0.0598 0.034*
C136 1.08085 (10) 0.4753 (2) 0.09490 (10) 0.0355 (5)
H136 1.0511 0.4353 0.0561 0.043*
C131 1.05405 (9) 0.4968 (2) 0.14811 (9) 0.0293 (4)
C132 1.09818 (10) 0.5576 (3) 0.20416 (10) 0.0377 (5)
H132 1.0805 0.5740 0.2408 0.045*
C133 1.16781 (11) 0.5945 (3) 0.20699 (11) 0.0462 (6)
H133 1.1975 0.6370 0.2454 0.055*
C135 1.15052 (11) 0.5120 (3) 0.09818 (11) 0.0432 (5)
H135 1.1683 0.4972 0.0616 0.052*
C134 1.19419 (11) 0.5697 (3) 0.15430 (11) 0.0478 (6)
H134 1.2423 0.5924 0.1567 0.057*
C18 0.99255 (9) 0.1608 (2) 0.12819 (9) 0.0302 (4)
C15 0.87274 (9) 0.2760 (2) 0.10988 (9) 0.0301 (4)
C16 0.75841 (10) 0.2018 (3) 0.05069 (10) 0.0478 (6)
H16A 0.7385 0.2926 0.0710 0.057*
H16B 0.7540 0.0989 0.0737 0.057*
C19 1.04535 (12) −0.0718 (3) 0.09243 (11) 0.0462 (6)
H19A 1.0208 −0.1668 0.0681 0.055*
H19B 1.0561 −0.0982 0.1386 0.055*
C20 1.11176 (11) −0.0376 (3) 0.07335 (11) 0.0484 (6)
H20A 1.1007 −0.0113 0.0276 0.073*
H20B 1.1422 −0.1346 0.0818 0.073*
H20C 1.1361 0.0555 0.0981 0.073*
C17 0.72063 (12) 0.1870 (5) −0.01707 (12) 0.0850 (11)
H17A 0.7247 0.2901 −0.0392 0.127*
H17B 0.6708 0.1635 −0.0205 0.127*
H17C 0.7412 0.0976 −0.0367 0.127*
O13 1.01617 (7) 0.12639 (17) 0.18357 (7) 0.0448 (4)
O14 1.00073 (7) 0.07390 (16) 0.07883 (6) 0.0390 (3)
O12 0.83217 (6) 0.23431 (18) 0.05337 (6) 0.0388 (3)
O11 0.85427 (7) 0.28256 (18) 0.15869 (6) 0.0420 (4)
N11 0.93182 (8) 0.60116 (18) 0.12721 (7) 0.0295 (4)
C21 0.47116 (9) 0.8377 (2) 0.40329 (9) 0.0294 (4)
H21 0.4728 0.8760 0.4476 0.035*
C22 0.43696 (9) 0.9732 (2) 0.35641 (9) 0.0282 (4)
H22 0.4362 0.9388 0.3118 0.034*
C236 0.56098 (10) 0.7580 (2) 0.34270 (9) 0.0357 (5)
H236 0.5236 0.7390 0.3058 0.043*
C231 0.54615 (9) 0.8070 (2) 0.39927 (8) 0.0286 (4)
C235 0.62987 (11) 0.7365 (3) 0.33975 (10) 0.0422 (5)
H235 0.6397 0.7029 0.3008 0.051*
C232 0.60142 (10) 0.8345 (3) 0.45220 (10) 0.0435 (5)
H232 0.5920 0.8683 0.4913 0.052*
C233 0.67022 (11) 0.8134 (3) 0.44898 (12) 0.0556 (6)
H233 0.7077 0.8335 0.4857 0.067*
C234 0.68458 (11) 0.7637 (3) 0.39325 (11) 0.0504 (6)
H234 0.7319 0.7480 0.3913 0.060*
O22 0.32221 (6) 1.05521 (18) 0.30375 (6) 0.0379 (3)
O23 0.50629 (7) 1.17430 (17) 0.42706 (6) 0.0383 (3)
O24 0.48859 (7) 1.20201 (17) 0.32046 (6) 0.0374 (3)
O21 0.34248 (7) 1.00089 (19) 0.40842 (6) 0.0428 (4)
C25 0.36234 (10) 1.0097 (2) 0.36044 (9) 0.0303 (4)
C26 0.24856 (10) 1.0901 (3) 0.30130 (10) 0.0483 (6)
H26A 0.2450 1.1902 0.3262 0.058*
H26B 0.2274 0.9975 0.3195 0.058*
C27 0.21148 (12) 1.1144 (4) 0.23293 (11) 0.0702 (8)
H27A 0.2300 1.2124 0.2166 0.105*
H27B 0.1609 1.1282 0.2289 0.105*
H27C 0.2190 1.0184 0.2081 0.105*
C28 0.48128 (9) 1.1279 (2) 0.37332 (9) 0.0285 (4)
C29 0.53627 (11) 1.3421 (3) 0.32954 (10) 0.0439 (5)
H29A 0.5384 1.3949 0.3713 0.053*
H29B 0.5190 1.4239 0.2953 0.053*
C30 0.60821 (11) 1.2832 (3) 0.32758 (11) 0.0526 (6)
H30A 0.6245 1.2005 0.3610 0.079*
H30B 0.6410 1.3760 0.3349 0.079*
H30C 0.6060 1.2348 0.2856 0.079*
N21 0.42781 (8) 0.68893 (19) 0.39088 (7) 0.0323 (4)
N12 0.90130 (9) 0.6301 (2) 0.06472 (8) 0.0402 (4)
N22 0.39520 (10) 0.6437 (2) 0.33069 (8) 0.0469 (5)
C141 0.91609 (10) 0.7177 (2) 0.16551 (10) 0.0350 (5)
H141 0.9323 0.7224 0.2108 0.042*
C241 0.41790 (11) 0.5804 (3) 0.43464 (11) 0.0412 (5)
H241 0.4364 0.5869 0.4797 0.049*
C142 0.87256 (10) 0.8278 (3) 0.12717 (10) 0.0394 (5)
H142 0.8520 0.9236 0.1398 0.047*
C143 0.86510 (10) 0.7683 (3) 0.06560 (11) 0.0431 (5)
H143 0.8374 0.8202 0.0283 0.052*
C242 0.37550 (11) 0.4572 (3) 0.40125 (12) 0.0480 (6)
H242 0.3586 0.3625 0.4183 0.058*
C243 0.36321 (12) 0.5025 (3) 0.33775 (12) 0.0487 (6)
H243 0.3354 0.4407 0.3032 0.058*