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. 2008 May 10;64(Pt 6):o1033–o1034. doi: 10.1107/S1600536808013147
x y z Uiso*/Ueq
C1 −0.0391 (2) 0.81198 (18) 0.21029 (19) 0.0220 (6)
H1 −0.0477 0.8647 0.1734 0.026*
C2 0.0052 (2) 0.8377 (2) 0.3007 (2) 0.0246 (7)
C3 0.0859 (2) 0.76493 (18) 0.32284 (18) 0.0218 (6)
H3 0.0727 0.7412 0.3815 0.026*
C4 0.1968 (2) 0.80413 (18) 0.31663 (18) 0.0209 (6)
C5 0.2045 (2) 0.85444 (18) 0.23165 (18) 0.0219 (6)
H5 0.1701 0.9126 0.2373 0.026*
C6 0.1544 (2) 0.80248 (19) 0.15592 (18) 0.0220 (6)
H6 0.1380 0.8456 0.1099 0.026*
C7 0.0505 (2) 0.75172 (18) 0.17449 (18) 0.0207 (6)
C8 0.0175 (2) 0.70445 (19) 0.09137 (19) 0.0226 (6)
H8 0.0235 0.7470 0.0432 0.027*
C9 −0.0936 (2) 0.6672 (2) 0.0894 (2) 0.0256 (7)
H9A −0.1126 0.6534 0.0294 0.031*
H9B −0.0949 0.6123 0.1225 0.031*
C10 −0.1744 (2) 0.72861 (19) 0.12591 (19) 0.0241 (6)
H10 −0.1762 0.7807 0.0877 0.029*
C11 −0.1439 (2) 0.76086 (19) 0.21596 (19) 0.0236 (6)
C12 −0.1281 (2) 0.68527 (19) 0.2794 (2) 0.0254 (7)
H12A −0.1312 0.7082 0.3386 0.030*
H12B −0.1866 0.6432 0.2724 0.030*
C13 0.0663 (2) 0.69431 (18) 0.25371 (18) 0.0226 (6)
H13 0.1306 0.6574 0.2466 0.027*
C14 0.2486 (2) 0.7463 (2) 0.1230 (2) 0.0275 (7)
H14A 0.2335 0.6837 0.1313 0.033*
H14B 0.2606 0.7570 0.0612 0.033*
C15 0.3455 (2) 0.7728 (2) 0.17473 (18) 0.0247 (6)
C16 0.3180 (2) 0.86471 (19) 0.20170 (19) 0.0242 (6)
H16 0.3214 0.9048 0.1513 0.029*
C17 0.3584 (2) 0.71420 (19) 0.25396 (19) 0.0253 (7)
H17 0.3397 0.6533 0.2376 0.030*
C18 0.2910 (2) 0.74092 (19) 0.33247 (18) 0.0240 (6)
H18 0.3398 0.7717 0.3726 0.029*
C19 0.3869 (2) 0.97097 (19) 0.3007 (2) 0.0257 (7)
C20 0.4690 (2) 0.98015 (19) 0.3682 (2) 0.0250 (6)
C21 0.5301 (3) 0.9093 (2) 0.3930 (2) 0.0299 (7)
H21 0.5187 0.8540 0.3677 0.036*
C22 0.6072 (3) 0.9198 (2) 0.4544 (2) 0.0356 (8)
H22 0.6489 0.8715 0.4713 0.043*
C23 0.6240 (3) 0.9998 (2) 0.4915 (2) 0.0365 (8)
H23 0.6767 1.0065 0.5342 0.044*
C24 0.5643 (3) 1.0702 (2) 0.4664 (2) 0.0401 (9)
H24 0.5768 1.1255 0.4914 0.048*
C25 0.4865 (3) 1.0608 (2) 0.4053 (2) 0.0362 (8)
H25 0.4451 1.1094 0.3887 0.043*
C26 0.2065 (2) 0.8593 (2) 0.46489 (19) 0.0284 (7)
C27 0.2139 (3) 0.9414 (2) 0.5150 (2) 0.0452 (9)
H27A 0.1483 0.9745 0.5086 0.068*
H27B 0.2731 0.9762 0.4937 0.068*
H27C 0.2251 0.9277 0.5756 0.068*
C28 −0.0892 (3) 0.9341 (3) 0.3905 (3) 0.0584 (12)
H28A −0.0235 0.9626 0.4079 0.088*
H28B −0.1399 0.9362 0.4378 0.088*
H28C −0.1187 0.9641 0.3406 0.088*
C29 0.1046 (3) 0.6183 (2) −0.0140 (2) 0.0339 (8)
H29A 0.0383 0.5980 −0.0393 0.051*
H29B 0.1589 0.5735 −0.0212 0.051*
H29C 0.1272 0.6718 −0.0427 0.051*
C30 −0.0119 (3) 0.5751 (2) 0.3337 (2) 0.0311 (7)
H30A 0.0555 0.5451 0.3248 0.047*
H30B −0.0696 0.5328 0.3315 0.047*
H30C −0.0115 0.6038 0.3897 0.047*
C31 −0.2345 (2) 0.81935 (19) 0.2462 (2) 0.0284 (7)
H31A −0.3027 0.7887 0.2400 0.034*
H31B −0.2249 0.8348 0.3073 0.034*
C32 −0.3153 (3) 0.9539 (2) 0.2150 (2) 0.0399 (8)
H32A −0.3834 0.9252 0.2058 0.060*
H32B −0.3104 1.0054 0.1783 0.060*
H32C −0.3092 0.9714 0.2751 0.060*
C33 0.5015 (3) 0.6510 (2) 0.3335 (2) 0.0445 (9)
H33A 0.4696 0.6603 0.3899 0.067*
H33B 0.5785 0.6529 0.3386 0.067*
H33C 0.4800 0.5941 0.3113 0.067*
N1 −0.02662 (19) 0.63950 (15) 0.26699 (16) 0.0239 (5)
O1 0.20493 (15) 0.87584 (12) 0.38022 (12) 0.0241 (4)
O2 0.2048 (2) 0.78785 (15) 0.49642 (14) 0.0402 (6)
O3 0.08940 (16) 0.63488 (13) 0.07442 (13) 0.0263 (5)
O4 −0.27732 (15) 0.68993 (14) 0.12299 (15) 0.0316 (5)
H4 −0.2766 0.6427 0.1499 0.047*
O5 −0.23341 (17) 0.89599 (14) 0.19455 (15) 0.0349 (6)
O6 −0.06838 (16) 0.84649 (14) 0.36913 (14) 0.0328 (5)
O7 0.43716 (15) 0.76827 (15) 0.12268 (13) 0.0309 (5)
H7 0.4897 0.7566 0.1534 0.046*
O8 0.46752 (16) 0.71676 (14) 0.27663 (14) 0.0305 (5)
O9 0.39220 (15) 0.89139 (13) 0.26615 (14) 0.0257 (5)
O10 0.25977 (17) 0.66318 (13) 0.37478 (14) 0.0290 (5)
H10A 0.2344 0.6755 0.4230 0.044*
O11 0.32507 (17) 1.02599 (13) 0.27820 (16) 0.0349 (5)
H2 0.037 (2) 0.8949 (9) 0.297 (2) 0.042*