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. 2017 Oct 31;73(Pt 11):1790–1792. doi: 10.1107/S2056989017015523
x y z Uiso*/Ueq
F 0.1008 (3) 1.1359 (3) 0.64799 (15) 0.0892 (8)
N1 −0.4074 (3) 1.1149 (3) 0.58021 (16) 0.0475 (7)
H1A −0.4582 1.1074 0.5363 0.057*
O1 −0.3400 (3) 0.8585 (3) 0.53292 (16) 0.0649 (7)
C1 −0.1205 (3) 0.9767 (3) 0.75362 (18) 0.0355 (7)
H1B −0.0473 0.9276 0.7172 0.043*
N2 −0.1865 (3) 0.6560 (3) 0.93763 (16) 0.0444 (7)
H2A −0.1563 0.5744 0.9718 0.053*
O2 −0.1486 (3) 0.7970 (3) 0.62507 (17) 0.0638 (7)
C2 −0.2422 (3) 1.0600 (3) 0.69080 (18) 0.0380 (7)
O3 0.1216 (3) 0.5759 (2) 0.90831 (16) 0.0634 (7)
C3 −0.3183 (4) 1.1998 (3) 0.68783 (19) 0.0417 (8)
O4 0.1394 (2) 0.7613 (2) 0.79087 (14) 0.0507 (6)
C4 −0.3137 (4) 1.3049 (3) 0.7359 (2) 0.0529 (9)
H4A −0.2488 1.2893 0.7830 0.064*
C5 −0.4062 (4) 1.4314 (4) 0.7129 (2) 0.0606 (10)
H5A −0.4018 1.5015 0.7443 0.073*
C6 −0.5063 (4) 1.4570 (4) 0.6435 (2) 0.0605 (10)
H6A −0.5680 1.5433 0.6299 0.073*
C7 −0.5152 (4) 1.3575 (4) 0.5952 (2) 0.0551 (9)
H7A −0.5813 1.3751 0.5486 0.066*
C8 −0.4223 (4) 1.2284 (4) 0.6177 (2) 0.0467 (8)
C9 −0.2988 (3) 1.0132 (3) 0.62295 (19) 0.0393 (7)
C10 −0.2664 (4) 0.8840 (4) 0.5891 (2) 0.0467 (8)
C11 −0.1055 (5) 0.6707 (4) 0.5897 (3) 0.0861 (14)
H11A −0.1634 0.5930 0.6234 0.103*
H11B −0.1327 0.6921 0.5275 0.103*
C12 0.0510 (7) 0.6258 (8) 0.5943 (5) 0.178 (3)
H12A 0.0736 0.5438 0.5691 0.267*
H12B 0.0778 0.6005 0.6559 0.267*
H12C 0.1089 0.7021 0.5609 0.267*
C13 −0.1830 (3) 0.8604 (3) 0.82871 (18) 0.0353 (7)
C14 −0.3323 (3) 0.8555 (3) 0.8754 (2) 0.0405 (8)
C15 −0.4693 (4) 0.9485 (4) 0.8693 (2) 0.0479 (8)
H15A −0.4763 1.0351 0.8261 0.057*
C16 −0.5897 (4) 0.9099 (4) 0.9272 (2) 0.0622 (10)
H16A −0.6795 0.9711 0.9231 0.075*
C17 −0.5836 (4) 0.7812 (4) 0.9929 (2) 0.0620 (10)
H17A −0.6685 0.7585 1.0318 0.074*
C18 −0.4548 (4) 0.6886 (4) 1.0008 (2) 0.0528 (9)
H18A −0.4508 0.6023 1.0442 0.063*
C19 −0.3295 (4) 0.7259 (3) 0.9426 (2) 0.0422 (8)
C20 −0.0989 (3) 0.7352 (3) 0.87031 (19) 0.0376 (7)
C21 0.0629 (4) 0.6816 (3) 0.8594 (2) 0.0418 (8)
C22 0.2998 (4) 0.7133 (4) 0.7765 (2) 0.0571 (10)
H22A 0.3098 0.6184 0.7649 0.069*
H22B 0.3553 0.7094 0.8293 0.069*
C23 0.3614 (5) 0.8187 (5) 0.6976 (3) 0.0827 (13)
H23A 0.4676 0.7904 0.6858 0.124*
H23B 0.3513 0.9120 0.7100 0.124*
H23C 0.3053 0.8218 0.6460 0.124*
C24 −0.0307 (3) 1.0737 (3) 0.7890 (2) 0.0382 (7)
C25 −0.0470 (4) 1.0918 (3) 0.8758 (2) 0.0465 (8)
H25A −0.1161 1.0400 0.9167 0.056*
C26 0.0363 (5) 1.1848 (4) 0.9036 (3) 0.0654 (11)
H26A 0.0206 1.1967 0.9620 0.078*
C27 0.1401 (5) 1.2582 (4) 0.8465 (3) 0.0695 (11)
H27A 0.1957 1.3209 0.8654 0.083*
C28 0.1636 (5) 1.2406 (4) 0.7610 (3) 0.0780 (12)
H28A 0.2370 1.2889 0.7216 0.094*
C29 0.0772 (4) 1.1507 (4) 0.7339 (2) 0.0564 (9)