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. 2008 Oct 11;64(Pt 11):o2096. doi: 10.1107/S1600536808032108
x y z Uiso*/Ueq
C1 0.5869 (2) 0.7772 (2) 0.4618 (2) 0.0397 (5)
C2 0.6405 (3) 0.8511 (3) 0.3955 (3) 0.0498 (8)
H2 0.6027 0.8595 0.3148 0.060*
C3 0.7499 (3) 0.9119 (3) 0.4499 (2) 0.0538 (7)
H3 0.7862 0.9615 0.4055 0.065*
C4 0.8069 (2) 0.9005 (3) 0.5697 (2) 0.0442 (6)
H4 0.8808 0.9428 0.6055 0.053*
C5 0.7547 (2) 0.8268 (2) 0.6360 (2) 0.0309 (5)
C6 0.64253 (18) 0.7665 (2) 0.5812 (2) 0.0350 (5)
H6 0.6051 0.7186 0.6258 0.042*
C7 0.8123 (2) 0.8112 (3) 0.7677 (2) 0.0324 (6)
H7 0.7546 0.8419 0.8076 0.039*
C8 0.9343 (2) 1.0017 (3) 0.8382 (2) 0.0363 (6)
C9 1.0571 (2) 1.0645 (3) 0.8708 (3) 0.0441 (7)
H9A 1.0464 1.1541 0.8742 0.066*
H9B 1.0969 1.0455 0.8129 0.066*
H9C 1.1074 1.0346 0.9464 0.066*
C10 1.0096 (2) 0.6892 (3) 0.8300 (2) 0.0315 (6)
C11 1.0879 (3) 0.4753 (3) 0.8707 (2) 0.0390 (6)
C12 1.1970 (3) 0.3942 (3) 0.8773 (3) 0.0569 (8)
H12A 1.1920 0.3658 0.7997 0.085*
H12B 1.1975 0.3226 0.9267 0.085*
H12C 1.2716 0.4420 0.9098 0.085*
C13 0.4198 (2) 0.6425 (3) 0.4616 (3) 0.0548 (7)
H13A 0.3971 0.6925 0.5186 0.082*
H13B 0.4748 0.5763 0.5011 0.082*
H13C 0.3468 0.6062 0.4074 0.082*
C14 0.8900 (2) 0.2827 (3) 0.5333 (2) 0.0431 (6)
C15 0.8399 (3) 0.3437 (3) 0.6089 (3) 0.0499 (8)
H15 0.8734 0.3319 0.6897 0.060*
C16 0.7400 (3) 0.4223 (3) 0.5648 (2) 0.0524 (7)
H16 0.7053 0.4623 0.6162 0.063*
C17 0.6906 (2) 0.4425 (2) 0.4454 (2) 0.0420 (6)
H17 0.6236 0.4967 0.4164 0.050*
C18 0.7410 (2) 0.3820 (3) 0.3691 (2) 0.0313 (5)
C19 0.84171 (19) 0.3018 (2) 0.4136 (2) 0.0365 (5)
H19 0.8764 0.2611 0.3626 0.044*
C20 0.6864 (2) 0.3966 (3) 0.2384 (2) 0.0316 (5)
H20 0.7459 0.3662 0.2005 0.038*
C21 0.5698 (2) 0.2018 (3) 0.1704 (2) 0.0352 (6)
C22 0.4489 (2) 0.1337 (3) 0.1313 (3) 0.0457 (7)
H22A 0.4280 0.1056 0.1990 0.069*
H22B 0.4554 0.0621 0.0844 0.069*
H22C 0.3857 0.1895 0.0855 0.069*
C23 0.4851 (2) 0.5119 (3) 0.1630 (2) 0.0307 (5)
C24 0.4060 (2) 0.7251 (3) 0.1174 (2) 0.0371 (6)
C25 0.2952 (2) 0.8055 (3) 0.1067 (3) 0.0520 (8)
H25A 0.2616 0.8347 0.0271 0.078*
H25B 0.3190 0.8766 0.1587 0.078*
H25C 0.2340 0.7569 0.1275 0.078*
C26 1.0400 (3) 0.1360 (3) 0.5113 (3) 0.0692 (9)
H26A 1.0753 0.1935 0.4686 0.104*
H26B 0.9772 0.0863 0.4568 0.104*
H26C 1.1035 0.0814 0.5586 0.104*
N1 0.92957 (17) 0.8777 (2) 0.81336 (18) 0.0319 (5)
N2 1.03611 (17) 0.8057 (2) 0.8278 (2) 0.0339 (5)
N3 1.10017 (18) 0.5994 (2) 0.8432 (2) 0.0383 (5)
H3A 1.1689 0.6224 0.8336 0.046*
N4 0.57049 (17) 0.3249 (2) 0.1927 (2) 0.0332 (5)
N5 0.46128 (17) 0.3956 (2) 0.16790 (19) 0.0330 (5)
N6 0.39184 (18) 0.6002 (2) 0.1401 (2) 0.0357 (5)
H6A 0.3199 0.5754 0.1399 0.043*
O1 0.47967 (16) 0.7197 (2) 0.39944 (16) 0.0550 (5)
O2 0.83930 (16) 1.0588 (2) 0.8297 (2) 0.0525 (5)
O3 0.99404 (17) 0.4378 (2) 0.88764 (19) 0.0514 (5)
O4 0.98715 (18) 0.2046 (2) 0.58456 (19) 0.0676 (6)
O5 0.66898 (16) 0.1464 (2) 0.18601 (19) 0.0513 (5)
O6 0.50089 (16) 0.7653 (2) 0.10697 (18) 0.0487 (5)
S1 0.85560 (5) 0.64828 (6) 0.81229 (6) 0.03785 (17)
S2 0.63984 (5) 0.55696 (6) 0.18841 (6) 0.03857 (17)