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. 2012 Jun 13;68(Pt 7):o2044. doi: 10.1107/S1600536812025238
x y z Uiso*/Ueq
O1 −0.08035 (9) 0.17748 (13) 0.26833 (13) 0.0730 (6)
O2 0.04784 (9) 0.17674 (14) 0.42872 (13) 0.0821 (7)
O3 0.36766 (10) 0.22769 (14) 0.89614 (12) 0.0776 (7)
O4 0.45928 (10) 0.10845 (15) 0.95844 (14) 0.0945 (8)
N1 −0.12499 (10) −0.00138 (14) 0.21735 (13) 0.0471 (6)
N2 −0.09808 (10) −0.10774 (14) 0.24985 (14) 0.0569 (7)
N3 0.39439 (11) 0.13844 (17) 0.89657 (14) 0.0581 (8)
C1 −0.19601 (12) 0.01116 (18) 0.12989 (15) 0.0455 (8)
C2 −0.23410 (13) −0.0800 (2) 0.07708 (16) 0.0553 (8)
C3 −0.30350 (13) −0.0687 (2) −0.00721 (17) 0.0605 (9)
C4 −0.33702 (12) 0.0320 (2) −0.04231 (17) 0.0580 (9)
C5 −0.29776 (13) 0.1220 (2) 0.01114 (18) 0.0625 (9)
C6 −0.22799 (13) 0.11356 (19) 0.09640 (17) 0.0570 (9)
C7 −0.41344 (14) 0.0434 (3) −0.13425 (18) 0.0807 (10)
C8 −0.03201 (13) −0.09808 (19) 0.32890 (17) 0.0529 (8)
C9 0.01174 (15) −0.19835 (19) 0.3795 (2) 0.0829 (10)
C10 −0.01225 (12) 0.01440 (18) 0.35383 (16) 0.0470 (7)
C11 −0.07411 (12) 0.07485 (18) 0.27784 (16) 0.0498 (8)
C12 0.04790 (12) 0.06930 (19) 0.42923 (16) 0.0529 (8)
C13 0.11229 (12) 0.01857 (19) 0.51147 (15) 0.0524 (8)
C14 0.16670 (12) 0.07441 (19) 0.58368 (16) 0.0558 (8)
C15 0.23504 (12) 0.03180 (18) 0.66822 (15) 0.0468 (8)
C16 0.28189 (12) 0.10222 (17) 0.74142 (16) 0.0484 (7)
C17 0.34695 (11) 0.06209 (17) 0.82033 (15) 0.0462 (7)
C18 0.36860 (12) −0.04585 (19) 0.83085 (17) 0.0533 (8)
C19 0.32218 (13) −0.11635 (19) 0.75823 (18) 0.0594 (9)
C20 0.25664 (13) −0.07833 (19) 0.67876 (17) 0.0558 (8)
H2 −0.21290 −0.14941 0.09841 0.0664*
H2A 0.00843 0.19892 0.38131 0.0985*
H3 −0.32857 −0.13128 −0.04158 0.0726*
H5 −0.31886 0.19129 −0.01079 0.0749*
H6 −0.20295 0.17621 0.13074 0.0684*
H7A −0.41585 −0.01104 −0.17713 0.1210*
H7B −0.41647 0.11515 −0.15951 0.1210*
H7C −0.45667 0.03326 −0.12467 0.1210*
H9A 0.01385 −0.20300 0.43799 0.1245*
H9B 0.06423 −0.19504 0.39072 0.1245*
H9C −0.01457 −0.26184 0.34237 0.1245*
H13 0.11552 −0.05758 0.51357 0.0629*
H14 0.16074 0.15024 0.58025 0.0669*
H16 0.26930 0.17631 0.73710 0.0581*
H18 0.41302 −0.07088 0.88501 0.0640*
H19 0.33541 −0.19024 0.76316 0.0712*
H20 0.22594 −0.12729 0.63083 0.0669*