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. 2010 Jan 23;66(Pt 2):o428. doi: 10.1107/S1600536810002175
x y z Uiso*/Ueq
N1 −0.01319 (14) 1.0261 (2) 0.9413 (2) 0.0605 (5)
H1 −0.0087 1.0928 1.0004 0.073*
N2 0.11909 (10) 0.60749 (18) 0.83997 (15) 0.0393 (4)
N3 0.05128 (10) 0.62465 (17) 0.65920 (15) 0.0381 (4)
O1 0.14925 (11) 0.64081 (18) 0.94892 (14) 0.0579 (4)
O2 0.01465 (11) 0.68277 (17) 0.56075 (14) 0.0545 (4)
C1 −0.08282 (15) 1.0156 (2) 0.8579 (2) 0.0534 (6)
C2 −0.16017 (18) 1.1028 (3) 0.8506 (3) 0.0731 (8)
H2 −0.1707 1.1825 0.9064 0.088*
C3 −0.21965 (16) 1.0666 (3) 0.7587 (4) 0.0795 (9)
H3 −0.2715 1.1234 0.7516 0.095*
C4 −0.20480 (15) 0.9465 (3) 0.6750 (3) 0.0692 (7)
H4 −0.2463 0.9255 0.6126 0.083*
C5 −0.12892 (14) 0.8583 (2) 0.6839 (2) 0.0529 (6)
H5 −0.1201 0.7769 0.6292 0.063*
C6 −0.06560 (13) 0.8930 (2) 0.7760 (2) 0.0442 (5)
C7 0.01895 (13) 0.8304 (2) 0.81520 (18) 0.0407 (5)
C8 0.04679 (15) 0.9165 (2) 0.9167 (2) 0.0515 (5)
H8 0.0991 0.9010 0.9614 0.062*
C9 0.06218 (12) 0.6932 (2) 0.77161 (18) 0.0363 (4)
C10 0.15347 (12) 0.4734 (2) 0.76668 (19) 0.0385 (4)
C11 0.24518 (16) 0.5183 (2) 0.7176 (2) 0.0523 (5)
H11A 0.2395 0.6018 0.6597 0.079*
H11B 0.2715 0.4328 0.6752 0.079*
H11C 0.2821 0.5483 0.7870 0.079*
C12 0.15962 (15) 0.3356 (2) 0.8531 (2) 0.0516 (5)
H12A 0.2043 0.3532 0.9158 0.077*
H12B 0.1749 0.2471 0.8045 0.077*
H12C 0.1035 0.3195 0.8936 0.077*
C13 0.08199 (13) 0.4624 (2) 0.66190 (19) 0.0381 (4)
C14 0.00154 (14) 0.3668 (2) 0.6989 (2) 0.0516 (5)
H14A −0.0183 0.3965 0.7813 0.077*
H14B 0.0176 0.2609 0.6997 0.077*
H14C −0.0453 0.3829 0.6391 0.077*
C15 0.11578 (16) 0.4160 (3) 0.5331 (2) 0.0556 (6)
H15A 0.0674 0.4150 0.4743 0.083*
H15B 0.1415 0.3161 0.5379 0.083*
H15C 0.1598 0.4876 0.5054 0.083*