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. 2009 Jan 10;65(Pt 2):o267–o268. doi: 10.1107/S1600536809000191
x y z Uiso*/Ueq
C1' −0.18648 (9) 0.69929 (8) 0.22865 (5) 0.03405 (16)
H1' −0.2631 0.7423 0.2493 0.041*
C2' −0.12028 (8) 0.74007 (7) 0.15872 (5) 0.02883 (13)
H2' −0.1553 0.8087 0.1329 0.035*
C2 0.40705 (7) 0.72005 (6) 0.13520 (4) 0.02074 (10)
C3' −0.00246 (7) 0.68003 (6) 0.12659 (4) 0.02299 (11)
C3 0.58917 (7) 0.58558 (7) 0.08145 (4) 0.02531 (12)
C4 0.67040 (8) 0.47195 (8) 0.09881 (5) 0.03082 (14)
H40 0.6397 0.4094 0.0625 0.046*
H41 0.6534 0.4471 0.1533 0.046*
H42 0.7702 0.4865 0.0917 0.046*
C4' 0.04426 (8) 0.57608 (7) 0.16569 (5) 0.02818 (13)
H4' 0.1221 0.5340 0.1458 0.034*
C5 0.24444 (7) 0.89236 (6) 0.09425 (4) 0.02261 (11)
C5' −0.02462 (10) 0.53384 (8) 0.23496 (5) 0.03469 (17)
H5' 0.0073 0.4631 0.2595 0.042*
C6 0.10835 (8) 0.85717 (6) 0.04946 (4) 0.02444 (12)
H61 0.1172 0.8834 −0.0060 0.029*
H62 0.0302 0.9021 0.0728 0.029*
C6' −0.13955 (10) 0.59549 (9) 0.26777 (5) 0.03553 (17)
C7' −0.21196 (14) 0.55330 (13) 0.34392 (6) 0.0557 (3)
H70' −0.1661 0.4813 0.3634 0.083*
H71' −0.3103 0.5363 0.3325 0.083*
H72' −0.2054 0.6155 0.3841 0.083*
C7 0.06784 (7) 0.72237 (6) 0.04914 (4) 0.02407 (11)
C8 −0.02971 (10) 0.69513 (9) −0.02232 (5) 0.03593 (17)
H80 0.0164 0.7187 −0.0713 0.054*
H81 −0.1169 0.7395 −0.0168 0.054*
H82 −0.0501 0.6100 −0.0239 0.054*
C9 0.27064 (10) 1.02844 (7) 0.08864 (5) 0.03188 (15)
H90 0.3533 1.0493 0.1200 0.048*
H91 0.1895 1.0711 0.1090 0.048*
H92 0.2855 1.0505 0.0334 0.048*
C41 0.15568 (7) 0.88983 (6) 0.23768 (4) 0.02220 (11)
C42 0.16402 (9) 0.82781 (7) 0.31792 (4) 0.02797 (13)
H420 0.1094 0.7544 0.3161 0.042*
H421 0.1265 0.8802 0.3587 0.042*
H422 0.2615 0.8091 0.3304 0.042*
N1 0.49426 (6) 0.61997 (5) 0.14026 (3) 0.02274 (10)
N3 0.32596 (6) 0.74595 (5) 0.19539 (3) 0.02162 (10)
N4 0.24397 (6) 0.84788 (5) 0.17882 (3) 0.02167 (10)
O1 0.60479 (7) 0.64374 (7) 0.01970 (4) 0.03731 (14)
O2 0.07229 (6) 0.97409 (5) 0.22442 (3) 0.02734 (10)
S1 0.400452 (18) 0.813333 (16) 0.050251 (10) 0.02473 (5)
H4 0.4838 (13) 0.5774 (12) 0.1853 (8) 0.036 (3)*
H7 0.1540 (12) 0.6750 (10) 0.0411 (7) 0.028 (3)*