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. 2018 Jun 19;74(Pt 7):994–997. doi: 10.1107/S2056989018008745
x y z Uiso*/Ueq
O1 0.69369 (16) 0.65950 (6) 0.29785 (11) 0.0737 (5)
N2 0.2691 (2) 0.46625 (6) 0.26099 (13) 0.0612 (5)
N1 0.3278 (2) 0.47874 (7) 0.11536 (11) 0.0660 (5)
C15 0.4616 (2) 0.70114 (8) 0.34035 (13) 0.0556 (5)
H15 0.401592 0.674922 0.321542 0.067*
C8 0.4411 (2) 0.53611 (7) 0.22666 (14) 0.0570 (5)
C16 0.3945 (2) 0.74273 (8) 0.37607 (13) 0.0555 (5)
N3 0.1021 (3) 0.74647 (8) 0.38612 (15) 0.0877 (7)
C11 0.6078 (2) 0.61778 (8) 0.27451 (15) 0.0617 (6)
C7 0.3485 (2) 0.49377 (7) 0.20015 (14) 0.0575 (5)
C14 0.6179 (3) 0.69884 (8) 0.33284 (14) 0.0595 (6)
C5 0.1905 (3) 0.43125 (8) 0.21300 (14) 0.0598 (6)
C6 0.2289 (3) 0.43919 (8) 0.12231 (15) 0.0626 (6)
C20 0.2314 (3) 0.74515 (8) 0.38237 (15) 0.0629 (6)
C9 0.4841 (3) 0.54391 (8) 0.31609 (14) 0.0636 (6)
H9 0.455684 0.521444 0.360562 0.076*
C17 0.4835 (3) 0.78215 (8) 0.40457 (14) 0.0641 (6)
C10 0.5683 (3) 0.58453 (9) 0.34017 (15) 0.0669 (6)
H10 0.597961 0.589294 0.400289 0.080*
O2 0.2249 (4) 0.46945 (10) 0.44787 (13) 0.1486 (11)
H2B 0.205614 0.441905 0.472290 0.223*
H2C 0.175029 0.490023 0.479514 0.223*
C13 0.4861 (3) 0.56973 (9) 0.16191 (15) 0.0728 (7)
H13 0.460140 0.564674 0.101255 0.087*
C19 0.7071 (3) 0.73832 (10) 0.35927 (16) 0.0730 (7)
H19 0.812628 0.736903 0.353160 0.088*
C18 0.6397 (3) 0.77925 (10) 0.39428 (16) 0.0796 (7)
H18 0.700081 0.805688 0.411514 0.095*
C1 0.1650 (3) 0.40948 (9) 0.05537 (17) 0.0779 (7)
H1 0.189956 0.413927 −0.005580 0.093*
C12 0.5683 (3) 0.61047 (9) 0.18562 (16) 0.0729 (7)
H12 0.597142 0.633031 0.141412 0.087*
C21 0.4137 (3) 0.82420 (10) 0.44552 (17) 0.0822 (8)
C4 0.0891 (3) 0.39499 (8) 0.23910 (17) 0.0754 (7)
H4 0.063662 0.390196 0.299896 0.090*
N4 0.3579 (3) 0.85731 (10) 0.47866 (17) 0.1136 (9)
C3 0.0277 (3) 0.36651 (9) 0.17176 (19) 0.0827 (7)
H3 −0.040521 0.341761 0.187190 0.099*
C2 0.0650 (3) 0.37372 (9) 0.08091 (19) 0.0822 (7)
H2A 0.021084 0.353825 0.036701 0.099*
H2 0.259 (3) 0.4705 (9) 0.3227 (17) 0.085 (8)*