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. 2008 Nov 29;64(Pt 12):o2468. doi: 10.1107/S1600536808039354
x y z Uiso*/Ueq
O1 0.8903 (3) 0.3923 (5) 0.9651 (2) 0.1022 (11)
O2 0.8075 (3) 0.2944 (5) 0.8476 (2) 0.1053 (12)
O3 −0.2355 (3) −0.1305 (6) 0.2733 (2) 0.1165 (13)
O4 −0.2358 (2) 0.0205 (5) 0.3874 (2) 0.0933 (10)
N1 0.9792 (3) −0.4285 (6) 0.7823 (3) 0.0911 (13)
N2 0.8813 (3) 0.2924 (5) 0.9055 (2) 0.0679 (9)
N3 0.1646 (3) 0.3683 (6) 0.4808 (3) 0.0913 (12)
N4 −0.1954 (3) −0.0405 (6) 0.3328 (3) 0.0848 (12)
C1 0.8268 (3) −0.0774 (7) 0.8368 (3) 0.0923 (16)
H1A 0.7835 0.0171 0.8470 0.139*
H1B 0.8181 −0.1816 0.8713 0.139*
H1C 0.8128 −0.1092 0.7755 0.139*
C2 0.9291 (3) −0.0132 (5) 0.8624 (2) 0.0510 (9)
C3 0.9574 (2) 0.1578 (5) 0.8973 (2) 0.0485 (9)
C4 1.0540 (3) 0.2126 (6) 0.9250 (2) 0.0674 (11)
H4A 1.0702 0.3263 0.9494 0.081*
C5 1.1250 (3) 0.0870 (7) 0.9140 (3) 0.0735 (12)
H5A 1.1903 0.1195 0.9309 0.088*
C6 1.1036 (3) −0.0738 (6) 0.8811 (3) 0.0687 (11)
H6A 1.1534 −0.1538 0.8760 0.082*
C7 1.0072 (3) −0.1268 (5) 0.8534 (2) 0.0538 (9)
C8 0.9868 (3) −0.3022 (6) 0.8160 (3) 0.0743 (13)
C9 −0.0871 (3) 0.2856 (5) 0.4071 (3) 0.0707 (11)
H9A −0.0390 0.3709 0.4351 0.106*
H9B −0.1311 0.2595 0.4455 0.106*
H9C −0.1228 0.3360 0.3531 0.106*
C10 −0.0378 (3) 0.1138 (5) 0.3880 (2) 0.0472 (8)
C11 −0.0849 (3) −0.0391 (6) 0.3503 (2) 0.0573 (10)
C12 −0.0389 (3) −0.1889 (6) 0.3260 (2) 0.0669 (11)
H12A −0.0752 −0.2850 0.2977 0.080*
C13 0.0618 (3) −0.1963 (6) 0.3435 (3) 0.0733 (12)
H13A 0.0943 −0.2984 0.3295 0.088*
C14 0.1137 (3) −0.0442 (5) 0.3834 (2) 0.0609 (10)
H14A 0.1814 −0.0446 0.3950 0.073*
C15 0.0650 (3) 0.1033 (5) 0.4049 (2) 0.0509 (9)
C16 0.1190 (3) 0.2561 (6) 0.4443 (3) 0.0646 (11)