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. 2008 Dec 20;65(Pt 1):o189. doi: 10.1107/S1600536808042888
x y z Uiso*/Ueq
O1 0.7450 (3) 0.31702 (12) 1.09538 (15) 0.0271 (5)
H1 0.7745 0.2698 1.1150 0.041*
O2 0.3884 (3) 0.32742 (11) 0.58919 (15) 0.0246 (5)
O3 0.1758 (3) 0.41831 (13) 0.32215 (18) 0.0444 (6)
H3 0.2262 0.4067 0.3866 0.067*
O4 −0.1014 (3) 0.59721 (14) 0.05179 (16) 0.0359 (6)
O5 0.4249 (4) 0.61425 (14) 0.73043 (18) 0.0495 (7)
H51 0.4027 0.6363 0.7892 0.074*
H52 0.5420 0.6108 0.7317 0.074*
N1 0.3620 (3) 0.45875 (14) 0.62786 (18) 0.0208 (5)
H11 0.3800 0.4987 0.6754 0.025*
N2 0.2800 (3) 0.47111 (14) 0.51985 (17) 0.0218 (5)
C1 0.4997 (3) 0.36829 (15) 0.7739 (2) 0.0174 (5)
C2 0.5351 (4) 0.42869 (16) 0.8536 (2) 0.0204 (6)
H2 0.5012 0.4826 0.8345 0.024*
C3 0.6192 (4) 0.41082 (16) 0.9602 (2) 0.0216 (6)
H3A 0.6449 0.4524 1.0135 0.026*
C4 0.6653 (3) 0.33229 (16) 0.9886 (2) 0.0197 (6)
C5 0.6322 (4) 0.27144 (16) 0.9108 (2) 0.0214 (6)
H5A 0.6655 0.2176 0.9305 0.026*
C6 0.5504 (4) 0.28976 (16) 0.8043 (2) 0.0208 (6)
H6 0.5284 0.2481 0.7508 0.025*
C7 0.4134 (3) 0.38292 (16) 0.6579 (2) 0.0191 (6)
C8 0.2221 (4) 0.54217 (18) 0.4913 (2) 0.0231 (6)
H8 0.2362 0.5848 0.5436 0.028*
C9 0.1350 (4) 0.55631 (18) 0.3780 (2) 0.0235 (6)
C10 0.1117 (4) 0.49462 (18) 0.2982 (2) 0.0289 (7)
C11 0.0295 (4) 0.5107 (2) 0.1905 (2) 0.0329 (7)
H11A 0.0125 0.4689 0.1371 0.040*
C12 −0.0278 (4) 0.5882 (2) 0.1614 (2) 0.0281 (7)
C13 −0.0097 (4) 0.64983 (19) 0.2380 (2) 0.0290 (7)
H13 −0.0519 0.7025 0.2177 0.035*
C14 0.0714 (4) 0.63284 (18) 0.3450 (2) 0.0270 (6)
H14 0.0843 0.6749 0.3982 0.032*
C15 −0.1581 (4) 0.6759 (2) 0.0151 (3) 0.0385 (8)
H15A −0.2026 0.6749 −0.0647 0.058*
H15B −0.0508 0.7127 0.0299 0.058*
H15C −0.2598 0.6944 0.0549 0.058*