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. 2011 Oct 22;67(Pt 11):o3024–o3025. doi: 10.1107/S1600536811042693
x y z Uiso*/Ueq
C11 0.6512 (5) 0.7963 (4) 0.58401 (18) 0.0351 (10)
H11A 0.7574 0.8454 0.5748 0.042*
H11B 0.6307 0.7656 0.6255 0.042*
C12 0.5323 (5) 0.7710 (3) 0.53929 (17) 0.0266 (9)
H12 0.4266 0.7219 0.5490 0.032*
C13 0.5611 (6) 0.8182 (4) 0.47352 (16) 0.0254 (9)
O13 0.7087 (4) 0.8616 (2) 0.45947 (10) 0.0331 (6)
N11 0.4267 (4) 0.8008 (3) 0.42980 (12) 0.0235 (7)
C14 0.2342 (4) 0.8154 (3) 0.44501 (15) 0.0223 (9)
C141 0.2071 (4) 0.9268 (3) 0.49667 (14) 0.0264 (9)
H14A 0.2608 0.8915 0.5359 0.040*
H14B 0.0805 0.9421 0.5020 0.040*
H14C 0.2626 1.0182 0.4852 0.040*
C142 0.1516 (4) 0.6705 (4) 0.46339 (15) 0.0315 (10)
H14D 0.1660 0.6005 0.4296 0.047*
H14E 0.0256 0.6842 0.4707 0.047*
H14F 0.2104 0.6343 0.5016 0.047*
C15 0.1346 (4) 0.8760 (3) 0.38813 (14) 0.0215 (9)
H15A 0.1841 0.9718 0.3780 0.026*
H15B 0.0094 0.8899 0.3986 0.026*
C16 0.1433 (4) 0.7795 (3) 0.33054 (15) 0.0216 (9)
H16 0.0558 0.6996 0.3349 0.026*
N12 0.0923 (4) 0.8644 (3) 0.27579 (14) 0.0248 (8)
H12N 0.091 (4) 0.958 (4) 0.2776 (15) 0.030*
C17 0.0539 (4) 0.8041 (4) 0.22070 (18) 0.0244 (9)
O17 0.0605 (3) 0.6724 (3) 0.21106 (10) 0.0312 (6)
C18 0.0062 (4) 0.9074 (4) 0.17059 (18) 0.0293 (10)
H18 −0.0116 1.0059 0.1810 0.035*
C19 −0.0126 (4) 0.8670 (4) 0.11159 (19) 0.0351 (10)
H19A 0.0048 0.7689 0.1004 0.042*
H19B −0.0434 0.9361 0.0804 0.042*
C110 0.3267 (4) 0.7126 (4) 0.32590 (15) 0.0255 (9)
H11C 0.3572 0.7099 0.2813 0.031*
H11D 0.3204 0.6114 0.3406 0.031*
C111 0.4782 (4) 0.7879 (4) 0.36235 (15) 0.0231 (9)
C112 0.5237 (5) 0.9342 (4) 0.33346 (15) 0.0338 (10)
H11E 0.4170 0.9936 0.3299 0.051*
H11F 0.5712 0.9190 0.2919 0.051*
H11G 0.6121 0.9833 0.3601 0.051*
C113 0.6372 (4) 0.6870 (4) 0.35721 (15) 0.0354 (10)
H11H 0.7445 0.7377 0.3713 0.053*
H11I 0.6489 0.6571 0.3136 0.053*
H11J 0.6199 0.6016 0.3834 0.053*
C21 0.5528 (5) 0.3323 (4) −0.09531 (17) 0.0352 (10)
H21A 0.6555 0.2736 −0.0956 0.042*
H21B 0.4956 0.3596 −0.1336 0.042*
C22 0.4897 (4) 0.3759 (4) −0.04192 (17) 0.0272 (9)
H22 0.3870 0.4345 −0.0420 0.033*
C23 0.5771 (6) 0.3345 (3) 0.01908 (17) 0.0268 (9)
O23 0.7355 (4) 0.3018 (3) 0.01962 (10) 0.0348 (6)
N21 0.4829 (3) 0.3447 (3) 0.07266 (13) 0.0230 (7)
C24 0.5850 (4) 0.3639 (4) 0.13359 (15) 0.0275 (9)
C241 0.7226 (5) 0.4842 (4) 0.12734 (17) 0.0388 (11)
H24A 0.8099 0.4554 0.0969 0.058*
H24B 0.7818 0.5010 0.1679 0.058*
H24C 0.6639 0.5731 0.1132 0.058*
C242 0.6742 (5) 0.2224 (4) 0.15384 (16) 0.0345 (10)
H24D 0.5852 0.1461 0.1564 0.052*
H24E 0.7326 0.2354 0.1949 0.052*
H24F 0.7620 0.1952 0.1232 0.052*
C25 0.4583 (4) 0.4172 (4) 0.18298 (14) 0.0258 (9)
H25A 0.5261 0.4365 0.2223 0.031*
H25B 0.4047 0.5093 0.1687 0.031*
C26 0.3114 (4) 0.3095 (4) 0.19614 (15) 0.0238 (9)
H26 0.3634 0.2300 0.2223 0.029*
N22 0.1734 (4) 0.3780 (3) 0.23152 (14) 0.0229 (7)
H22N 0.146 (4) 0.469 (4) 0.2289 (14) 0.028*
C27 0.0742 (5) 0.3013 (5) 0.27007 (16) 0.0239 (9)
O27 0.1022 (3) 0.1708 (3) 0.28043 (10) 0.0337 (7)
C28 −0.0730 (5) 0.3785 (4) 0.29870 (15) 0.0259 (9)
H28 −0.0865 0.4792 0.2918 0.031*
C29 −0.1860 (5) 0.3102 (4) 0.33360 (16) 0.0399 (10)
H29A −0.1736 0.2095 0.3407 0.048*
H29B −0.2802 0.3617 0.3517 0.048*
C210 0.2424 (4) 0.2433 (3) 0.13444 (14) 0.0267 (10)
H21C 0.2882 0.1435 0.1322 0.032*
H21D 0.1124 0.2365 0.1364 0.032*
C211 0.2858 (4) 0.3195 (3) 0.07325 (15) 0.0246 (9)
C212 0.1822 (4) 0.4611 (3) 0.06547 (15) 0.0289 (9)
H21E 0.1859 0.5143 0.1050 0.043*
H21F 0.0593 0.4395 0.0535 0.043*
H21G 0.2353 0.5200 0.0329 0.043*
C213 0.2268 (5) 0.2124 (4) 0.02233 (15) 0.0297 (9)
H21H 0.2345 0.2584 −0.0187 0.044*
H21I 0.1047 0.1829 0.0291 0.044*
H21J 0.3036 0.1273 0.0241 0.044*