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. 2008 Nov 20;64(Pt 12):o2368. doi: 10.1107/S1600536808036842
x y z Uiso*/Ueq
N1 −0.5544 (2) 0.61937 (15) −0.15400 (7) 0.0377 (5)
N2 −0.2647 (2) 0.69242 (15) −0.04651 (7) 0.0342 (5)
N3 0.0206 (2) 0.83861 (14) 0.04282 (7) 0.0328 (5)
C1 −0.4636 (3) 0.60967 (19) −0.11083 (9) 0.0353 (6)
C2 −0.3645 (3) 0.70650 (19) −0.09065 (9) 0.0315 (6)
C3 −0.3771 (3) 0.80441 (18) −0.11695 (9) 0.0379 (7)
H3B −0.4480 0.8113 −0.1477 0.045*
C4 −0.2830 (3) 0.89137 (19) −0.09692 (9) 0.0401 (7)
H4A −0.2893 0.9580 −0.1139 0.048*
C5 −0.1790 (3) 0.87807 (18) −0.05110 (9) 0.0346 (6)
H5A −0.1140 0.9355 −0.0367 0.041*
C6 −0.1734 (3) 0.77816 (18) −0.02709 (9) 0.0321 (6)
C7 −0.0646 (3) 0.75836 (19) 0.02294 (9) 0.0328 (6)
C8 −0.4473 (3) 0.50849 (18) −0.07891 (9) 0.0551 (8)
H8A −0.5166 0.4524 −0.0959 0.083*
H8B −0.4837 0.5227 −0.0455 0.083*
H8C −0.3311 0.4854 −0.0748 0.083*
C9 −0.0684 (3) 0.64705 (18) 0.04624 (9) 0.0516 (8)
H9A 0.0057 0.6450 0.0780 0.077*
H9B −0.0314 0.5947 0.0225 0.077*
H9C −0.1818 0.6302 0.0531 0.077*
C10 −0.6522 (3) 0.52973 (18) −0.17576 (9) 0.0350 (6)
C11 −0.5797 (3) 0.46024 (19) −0.20928 (9) 0.0354 (6)
C12 −0.6793 (3) 0.3774 (2) −0.23284 (9) 0.0460 (7)
H12A −0.6339 0.3312 −0.2560 0.055*
C13 −0.8439 (4) 0.3630 (2) −0.22238 (10) 0.0529 (8)
H13A −0.9089 0.3071 −0.2382 0.063*
C14 −0.9118 (3) 0.4313 (2) −0.18850 (10) 0.0531 (8)
H14A −1.0227 0.4202 −0.1813 0.064*
C15 −0.8197 (3) 0.5162 (2) −0.16479 (10) 0.0442 (7)
C16 −0.3966 (3) 0.4759 (2) −0.21860 (9) 0.0542 (8)
H16A −0.3738 0.5533 −0.2186 0.065*
H16B −0.3261 0.4447 −0.1895 0.065*
C17 −0.3415 (3) 0.4290 (2) −0.26723 (10) 0.0677 (9)
H17A −0.2233 0.4437 −0.2685 0.102*
H17B −0.4061 0.4613 −0.2967 0.102*
H17C −0.3599 0.3520 −0.2677 0.102*
C18 −0.8989 (3) 0.5920 (2) −0.12862 (10) 0.0595 (8)
H18A −0.9946 0.5565 −0.1155 0.071*
H18B −0.8167 0.6094 −0.0994 0.071*
C19 −0.9567 (4) 0.6936 (2) −0.15592 (11) 0.0843 (11)
H19A −1.0065 0.7408 −0.1324 0.126*
H19B −1.0392 0.6764 −0.1845 0.126*
H19C −0.8616 0.7292 −0.1685 0.126*
C20 0.1215 (3) 0.82874 (17) 0.09135 (9) 0.0314 (6)
C21 0.2917 (3) 0.79922 (18) 0.09253 (10) 0.0366 (6)
C22 0.3912 (3) 0.80093 (19) 0.14006 (11) 0.0481 (7)
H22A 0.5045 0.7806 0.1417 0.058*
C23 0.3256 (4) 0.8321 (2) 0.18473 (11) 0.0512 (8)
H23A 0.3947 0.8347 0.2160 0.061*
C24 0.1569 (4) 0.85952 (19) 0.18268 (10) 0.0466 (7)
H24A 0.1129 0.8799 0.2130 0.056*
C25 0.0504 (3) 0.85759 (18) 0.13639 (9) 0.0367 (6)
C26 0.3694 (3) 0.76989 (19) 0.04370 (9) 0.0458 (7)
H26A 0.2924 0.7225 0.0227 0.055*
H26B 0.4738 0.7302 0.0530 0.055*
C27 0.4070 (3) 0.86848 (19) 0.01206 (10) 0.0595 (8)
H27A 0.4547 0.8456 −0.0185 0.089*
H27B 0.4862 0.9146 0.0323 0.089*
H27C 0.3040 0.9077 0.0024 0.089*
C28 −0.1336 (3) 0.8865 (2) 0.13489 (9) 0.0482 (7)
H28A −0.1670 0.8812 0.1696 0.058*
H28B −0.1999 0.8342 0.1134 0.058*
C29 −0.1747 (4) 0.9995 (2) 0.11419 (10) 0.0685 (9)
H29A −0.2938 1.0131 0.1142 0.103*
H29B −0.1447 1.0051 0.0795 0.103*
H29C −0.1117 1.0520 0.1357 0.103*