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. 2009 Aug 26;65(Pt 9):o2232. doi: 10.1107/S1600536809032966
x y z Uiso*/Ueq
C1 0.5675 (3) −0.0420 (2) 0.57539 (7) 0.0345 (5)
H1A 0.5960 −0.1042 0.5573 0.041*
H1B 0.6267 −0.0597 0.6005 0.041*
C2 0.6493 (3) 0.0717 (2) 0.55918 (6) 0.0297 (5)
H2 0.5838 0.0930 0.5347 0.036*
C3 0.6333 (3) 0.16870 (18) 0.58921 (6) 0.0269 (5)
C4 0.8242 (3) 0.18411 (18) 0.60945 (6) 0.0267 (5)
H4 0.8800 0.2562 0.5999 0.032*
C5 0.9461 (3) 0.0841 (2) 0.59303 (7) 0.0314 (5)
H5A 1.0796 0.1060 0.5911 0.038*
H5B 0.9355 0.0164 0.6096 0.038*
C6 0.8611 (3) 0.0616 (2) 0.55207 (6) 0.0306 (5)
H6 0.8961 −0.0146 0.5420 0.037*
C7 0.7957 (4) 0.10135 (19) 0.67986 (7) 0.0364 (6)
H7 0.7995 0.0242 0.6727 0.044*
C8 0.8003 (3) 0.29145 (18) 0.67510 (6) 0.0293 (5)
C9 0.7746 (4) 0.25703 (19) 0.71395 (7) 0.0338 (5)
C10 0.7892 (3) 0.48170 (19) 0.68899 (6) 0.0327 (5)
C11 0.7511 (4) 0.34291 (19) 0.74423 (7) 0.0353 (5)
C12 0.4843 (4) 0.2341 (2) 0.59666 (9) 0.0445 (6)
H12A 0.4935 0.2931 0.6151 0.053*
H12B 0.3697 0.2215 0.5835 0.053*
N1 0.8142 (3) 0.19086 (16) 0.65304 (5) 0.0310 (4)
N2 0.7723 (3) 0.13654 (16) 0.71662 (6) 0.0395 (5)
N3 0.7949 (3) 0.59520 (16) 0.67918 (6) 0.0424 (5)
H3A 0.8106 0.6153 0.6550 0.051*
H3B 0.7829 0.6468 0.6972 0.051*
N4 0.8083 (3) 0.40206 (16) 0.66034 (5) 0.0331 (5)
N5 0.7614 (3) 0.45538 (16) 0.72814 (5) 0.0362 (5)
O1 0.3698 (2) −0.03239 (15) 0.58020 (5) 0.0387 (4)
H1 0.3405 −0.0525 0.6026 0.058*
O2 0.9107 (3) 0.15191 (15) 0.52463 (5) 0.0422 (5)
H2A 1.0233 0.1455 0.5183 0.063*
O3 0.7248 (3) 0.32814 (15) 0.78032 (5) 0.0499 (5)
O1W 0.2565 (3) 0.13435 (18) 0.49421 (6) 0.0500 (5)
H2W 0.274 (5) 0.0919 (17) 0.4753 (5) 0.069 (12)*
H1W 0.274 (7) 0.2029 (6) 0.4897 (8) 0.102 (16)*
H5C 0.754 (5) 0.518 (2) 0.7470 (8) 0.080 (10)*