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. 2012 Jan 11;68(Pt 2):o347. doi: 10.1107/S160053681105567X
x y z Uiso*/Ueq
O1 0.5220 (4) 0.40726 (17) 0.61847 (14) 0.0268 (5)
O2 −0.1301 (4) 0.7060 (2) 0.55343 (15) 0.0370 (6)
O3 0.0363 (4) 0.24966 (17) 0.82369 (14) 0.0261 (5)
N1 0.1946 (5) 0.5578 (2) 0.58770 (16) 0.0224 (6)
H1 0.277 (7) 0.580 (3) 0.5224 (14) 0.062 (12)*
N2 0.1685 (5) 0.4378 (2) 0.74966 (16) 0.0219 (5)
N3 −0.0574 (4) 0.5017 (2) 0.78892 (16) 0.0216 (5)
C1 0.3099 (6) 0.4641 (2) 0.6493 (2) 0.0227 (6)
C2 −0.0396 (6) 0.6266 (3) 0.6174 (2) 0.0248 (6)
C3 −0.1586 (5) 0.5929 (2) 0.73057 (19) 0.0207 (6)
C4 −0.3984 (5) 0.6607 (2) 0.7819 (2) 0.0217 (6)
C5 −0.5471 (6) 0.7527 (2) 0.7267 (2) 0.0257 (6)
H5 −0.5003 0.7749 0.6520 0.031*
C6 −0.7664 (6) 0.8135 (3) 0.7801 (2) 0.0305 (7)
H6 −0.8691 0.8762 0.7415 0.037*
C7 −0.8330 (6) 0.7822 (3) 0.8889 (2) 0.0292 (7)
H7 −0.9804 0.8239 0.9252 0.035*
C8 −0.6862 (6) 0.6905 (3) 0.9448 (2) 0.0299 (7)
H8 −0.7345 0.6689 1.0195 0.036*
C9 −0.4675 (6) 0.6294 (3) 0.8926 (2) 0.0263 (7)
H9 −0.3655 0.5668 0.9318 0.032*
C10 0.2431 (6) 0.3324 (3) 0.8212 (2) 0.0248 (6)
H10A 0.4350 0.3013 0.7963 0.030*
H10B 0.2581 0.3506 0.8950 0.030*
C11 0.0328 (6) 0.2037 (3) 0.7240 (2) 0.0266 (7)
H11A 0.2318 0.1769 0.7022 0.032*
H11B −0.0311 0.2649 0.6670 0.032*
C12 −0.1666 (6) 0.1064 (3) 0.7350 (2) 0.0297 (7)
C13 −0.2911 (7) 0.0595 (3) 0.8283 (2) 0.0357 (8)
H13A −0.2548 0.0879 0.8928 0.043*
H13B −0.4166 −0.0025 0.8307 0.043*
C14 −0.2130 (7) 0.0672 (3) 0.6292 (2) 0.0375 (8)
H14A −0.3299 −0.0013 0.6420 0.056*
H14B −0.0245 0.0489 0.5934 0.056*
H14C −0.3148 0.1284 0.5833 0.056*