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. 2010 Feb 13;66(Pt 3):o632. doi: 10.1107/S1600536810005313
x y z Uiso*/Ueq
O1 0.50707 (19) 0.14271 (17) 0.38773 (13) 0.0383 (4)
O2 0.8254 (2) 0.2153 (2) 0.23619 (15) 0.0501 (5)
N1 0.8448 (2) 0.2106 (2) 0.71289 (16) 0.0366 (5)
N2 0.9062 (2) 0.3607 (2) 0.71872 (16) 0.0376 (5)
N3 0.9231 (2) 0.3802 (2) 0.62613 (16) 0.0359 (5)
N4 0.4763 (2) 0.37357 (19) 0.34845 (14) 0.0283 (4)
N5 0.6925 (2) 0.4101 (2) 0.21476 (15) 0.0310 (5)
C1 0.9776 (3) 0.1642 (3) 0.89419 (19) 0.0359 (6)
C2 1.0765 (3) 0.0598 (3) 0.8911 (2) 0.0409 (6)
H2 1.0396 −0.0190 0.8339 0.049*
C3 1.2289 (4) 0.0720 (4) 0.9720 (3) 0.0650 (9)
H3 1.2943 0.0013 0.9694 0.078*
C4 1.2843 (5) 0.1865 (6) 1.0557 (3) 0.0935 (15)
H4 1.3868 0.1928 1.1106 0.112*
C5 1.1909 (6) 0.2932 (5) 1.0604 (3) 0.0947 (16)
H5 1.2312 0.3731 1.1171 0.114*
C6 1.0353 (5) 0.2807 (3) 0.9796 (2) 0.0610 (9)
H6 0.9699 0.3512 0.9831 0.073*
C7 0.8123 (3) 0.1525 (3) 0.8049 (2) 0.0442 (7)
H7A 0.7476 0.0468 0.7836 0.053*
H7B 0.7415 0.2096 0.8294 0.053*
C8 0.8216 (3) 0.1340 (3) 0.6177 (2) 0.0364 (6)
H8 0.7799 0.0296 0.5944 0.044*
C9 0.8726 (3) 0.2424 (3) 0.56202 (19) 0.0321 (6)
C10 0.8729 (3) 0.2271 (3) 0.45103 (19) 0.0346 (6)
H10A 0.8279 0.1209 0.4181 0.042*
H10B 0.9915 0.2590 0.4515 0.042*
C11 0.5716 (3) 0.2698 (2) 0.37552 (18) 0.0282 (5)
C12 0.7630 (3) 0.3225 (2) 0.38576 (18) 0.0284 (5)
H12 0.8070 0.4292 0.4202 0.034*
C13 0.7673 (3) 0.3110 (3) 0.27368 (19) 0.0324 (6)
C14 0.6468 (3) 0.5362 (2) 0.26045 (17) 0.0286 (5)
C15 0.6992 (3) 0.6803 (3) 0.2368 (2) 0.0357 (6)
H15 0.7607 0.6919 0.1898 0.043*
C16 0.6620 (3) 0.8055 (3) 0.2814 (2) 0.0403 (6)
H16 0.6977 0.9004 0.2641 0.048*
C17 0.5715 (3) 0.7908 (3) 0.3521 (2) 0.0385 (6)
H17 0.5500 0.8760 0.3844 0.046*
C18 0.5137 (3) 0.6485 (2) 0.37394 (19) 0.0324 (5)
H18 0.4513 0.6384 0.4205 0.039*
C19 0.5468 (3) 0.5196 (2) 0.32765 (17) 0.0268 (5)
C20 0.2922 (3) 0.3329 (3) 0.3420 (2) 0.0364 (6)
H20A 0.2357 0.2351 0.2985 0.055*
H20B 0.2356 0.4080 0.3118 0.055*
H20C 0.2857 0.3293 0.4117 0.055*
C21 0.7053 (3) 0.4078 (3) 0.1087 (2) 0.0440 (7)
H21A 0.8197 0.4626 0.1138 0.066*
H21B 0.6207 0.4549 0.0672 0.066*
H21C 0.6841 0.3044 0.0756 0.066*