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. 2014 Nov 29;70(Pt 12):593–595. doi: 10.1107/S1600536814025756
x y z Uiso*/Ueq
N1 −0.1052 (3) 0.5029 (2) 0.13830 (18) 0.0445 (6)
H1A −0.1408 0.4496 0.1090 0.053*
O1 0.3009 (2) 0.3113 (2) 0.08820 (18) 0.0586 (6)
C1 0.2144 (3) 0.5855 (3) 0.2059 (2) 0.0334 (6)
H1B 0.2859 0.5329 0.1441 0.040*
O2 0.1188 (3) 0.2409 (2) 0.05471 (17) 0.0555 (6)
N2 0.1837 (3) 0.9546 (2) 0.14191 (17) 0.0396 (6)
H2A 0.1767 1.0211 0.0985 0.048*
C2 0.0646 (3) 0.5803 (3) 0.1908 (2) 0.0341 (6)
O3 0.2455 (2) 0.6468 (2) −0.02476 (15) 0.0486 (5)
C3 −0.0884 (3) 0.6830 (3) 0.2299 (2) 0.0359 (6)
O4 0.1821 (3) 0.8813 (2) −0.05567 (15) 0.0529 (6)
C4 −0.1512 (3) 0.8120 (3) 0.2943 (2) 0.0439 (7)
H4A −0.0880 0.8485 0.3207 0.053*
F 0.6593 (3) 0.3395 (3) 0.38335 (19) 0.1028 (8)
C5 −0.3065 (4) 0.8827 (3) 0.3173 (2) 0.0522 (8)
H5B −0.3483 0.9676 0.3601 0.063*
C6 −0.4039 (4) 0.8314 (3) 0.2787 (3) 0.0545 (8)
H6A −0.5090 0.8841 0.2951 0.065*
C7 −0.3497 (4) 0.7059 (3) 0.2175 (3) 0.0518 (8)
H7A −0.4154 0.6715 0.1924 0.062*
C8 −0.1906 (3) 0.6313 (3) 0.1940 (2) 0.0394 (7)
C9 0.0469 (3) 0.4723 (3) 0.1365 (2) 0.0368 (6)
C10 0.1559 (4) 0.3315 (3) 0.0883 (2) 0.0416 (7)
C11 0.4154 (4) 0.1713 (4) 0.0498 (3) 0.0767 (11)
H11A 0.5149 0.1686 0.0529 0.115*
H11B 0.4049 0.1537 −0.0215 0.115*
H11C 0.4031 0.0977 0.0921 0.115*
C12 0.2062 (3) 0.7399 (3) 0.2047 (2) 0.0312 (6)
C13 0.1975 (3) 0.8347 (3) 0.2903 (2) 0.0331 (6)
C14 0.2017 (3) 0.8230 (3) 0.3985 (2) 0.0416 (7)
H14A 0.2120 0.7368 0.4295 0.050*
C15 0.1906 (4) 0.9398 (3) 0.4581 (2) 0.0517 (8)
H15A 0.1949 0.9317 0.5297 0.062*
C16 0.1728 (4) 1.0709 (3) 0.4134 (3) 0.0547 (9)
H16A 0.1632 1.1488 0.4563 0.066*
C17 0.1692 (4) 1.0876 (3) 0.3093 (2) 0.0489 (8)
H17A 0.1586 1.1748 0.2799 0.059*
C18 0.1821 (3) 0.9681 (3) 0.2474 (2) 0.0373 (7)
C19 0.1986 (3) 0.8161 (3) 0.1163 (2) 0.0339 (6)
C20 0.2100 (3) 0.7701 (3) 0.0063 (2) 0.0376 (7)
C21 0.1995 (4) 0.8471 (4) −0.1662 (2) 0.0666 (10)
H21A 0.1770 0.9343 −0.2036 0.100*
H21B 0.1303 0.8053 −0.1797 0.100*
H21C 0.3027 0.7788 −0.1891 0.100*
C22 0.2846 (3) 0.5040 (3) 0.2992 (2) 0.0367 (7)
C23 0.4402 (3) 0.4571 (3) 0.3005 (2) 0.0449 (7)
H23A 0.5000 0.4746 0.2449 0.054*
C24 0.5055 (4) 0.3846 (4) 0.3845 (3) 0.0548 (8)
C25 0.4234 (4) 0.3559 (4) 0.4673 (3) 0.0629 (10)
H25A 0.4706 0.3062 0.5232 0.076*
C26 0.2694 (4) 0.4020 (4) 0.4664 (3) 0.0639 (10)
H26A 0.2105 0.3844 0.5226 0.077*
C27 0.2007 (4) 0.4745 (3) 0.3822 (2) 0.0491 (8)
H27A 0.0963 0.5036 0.3820 0.059*