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. 2011 Jan 22;67(Pt 2):o441. doi: 10.1107/S1600536811001279
x y z Uiso*/Ueq
N1 0.1152 (3) 0.62012 (16) 0.25206 (8) 0.0443 (5)
H1N 0.1438 0.7034 0.2480 0.053*
O1 0.2269 (3) 0.41334 (15) 0.22806 (8) 0.0653 (5)
O2 −0.3406 (3) 0.31968 (14) 0.34457 (8) 0.0624 (5)
H2A −0.4387 0.3191 0.3659 0.094*
O3 −0.6164 (3) 0.41920 (16) 0.40749 (9) 0.0686 (5)
C1 0.1729 (6) 0.5577 (3) 0.07966 (14) 0.0959 (10)
H1A 0.1779 0.5148 0.0403 0.144*
H1B 0.1475 0.6515 0.0732 0.144*
H1C 0.0590 0.5196 0.0992 0.144*
C2 0.3834 (5) 0.5374 (2) 0.12083 (11) 0.0668 (7)
H2B 0.4978 0.5753 0.1006 0.080*
H2C 0.4104 0.4423 0.1259 0.080*
C3 0.3882 (4) 0.6008 (2) 0.18464 (11) 0.0547 (6)
H3A 0.5332 0.5959 0.2067 0.066*
H3B 0.3502 0.6945 0.1795 0.066*
C4 0.2373 (3) 0.5346 (2) 0.22330 (10) 0.0445 (5)
C5 −0.0507 (3) 0.59311 (17) 0.28740 (9) 0.0398 (5)
C6 −0.1165 (3) 0.46492 (18) 0.29964 (10) 0.0442 (5)
H6A −0.0497 0.3914 0.2844 0.053*
C7 −0.2832 (3) 0.44685 (19) 0.33483 (9) 0.0444 (5)
C8 −0.3858 (3) 0.55602 (19) 0.35889 (9) 0.0425 (5)
C9 −0.3162 (3) 0.6842 (2) 0.34437 (9) 0.0453 (5)
H9A −0.3830 0.7585 0.3589 0.054*
C10 −0.1537 (3) 0.70308 (19) 0.30956 (9) 0.0442 (5)
H10A −0.1116 0.7892 0.3006 0.053*
C11 −0.5560 (3) 0.5341 (2) 0.39762 (10) 0.0490 (5)
C12 −0.6540 (3) 0.6497 (2) 0.42757 (10) 0.0534 (6)
H12A −0.7122 0.7119 0.3953 0.064*
H12B −0.5417 0.6957 0.4547 0.064*
C13 −0.8299 (4) 0.6116 (3) 0.46512 (10) 0.0580 (6)
H13A −0.7728 0.5484 0.4971 0.070*
H13B −0.9440 0.5673 0.4380 0.070*
C14 −0.9232 (5) 0.7300 (3) 0.49570 (12) 0.0794 (8)
H14A −1.0325 0.6996 0.5192 0.119*
H14B −0.9846 0.7916 0.4642 0.119*
H14C −0.8115 0.7738 0.5231 0.119*