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. 2010 Oct 31;66(Pt 11):o3004–o3005. doi: 10.1107/S1600536810043564
x y z Uiso*/Ueq
N1 0.00619 (14) 0.30350 (16) 0.94081 (9) 0.0406 (4)
N2 0.12358 (14) 0.36267 (16) 1.00310 (10) 0.0398 (4)
N3 0.69398 (17) 0.6801 (2) 1.24192 (14) 0.0589 (5)
O1 −0.42069 (13) 0.13866 (16) 0.68671 (8) 0.0555 (4)
H1 −0.493 (2) 0.089 (2) 0.6608 (16) 0.083*
O2 0.16825 (12) 0.52109 (15) 0.89819 (8) 0.0533 (4)
O3 0.76141 (18) 0.7733 (2) 1.21577 (13) 0.0993 (6)
O4 0.72752 (16) 0.62850 (19) 1.31937 (12) 0.0842 (6)
C1 −0.18157 (16) 0.12789 (18) 0.91821 (11) 0.0359 (4)
C2 −0.24225 (16) 0.16628 (19) 0.82649 (11) 0.0372 (4)
H2A −0.2025 0.2405 0.7992 0.045*
C3 −0.36203 (17) 0.0939 (2) 0.77569 (11) 0.0385 (4)
C4 −0.42103 (19) −0.0178 (2) 0.81556 (13) 0.0452 (5)
H4 −0.5005 −0.0675 0.7810 0.054*
C5 −0.3613 (2) −0.0546 (2) 0.90643 (14) 0.0502 (5)
H5 −0.4015 −0.1290 0.9334 0.060*
C6 −0.24222 (18) 0.0171 (2) 0.95848 (13) 0.0449 (5)
H6 −0.2029 −0.0086 1.0201 0.054*
C7 −0.05675 (17) 0.20413 (19) 0.97439 (12) 0.0393 (4)
H7 −0.0222 0.1794 1.0365 0.047*
C8 0.19947 (16) 0.4687 (2) 0.97659 (12) 0.0369 (4)
C9 0.32783 (16) 0.52089 (18) 1.04872 (11) 0.0341 (4)
C10 0.39976 (17) 0.64059 (19) 1.02656 (12) 0.0400 (4)
H10 0.3676 0.6855 0.9689 0.048*
C11 0.51947 (18) 0.6937 (2) 1.09002 (13) 0.0438 (5)
H11 0.5681 0.7742 1.0756 0.053*
C12 0.56488 (16) 0.62500 (19) 1.17461 (12) 0.0410 (5)
C13 0.49633 (17) 0.50675 (19) 1.19882 (12) 0.0437 (5)
H13 0.5292 0.4624 1.2566 0.052*
C14 0.37696 (16) 0.45478 (19) 1.13512 (11) 0.0407 (5)
H14 0.3289 0.3745 1.1503 0.049*
H2 0.1392 (19) 0.341 (2) 1.0640 (14) 0.061*