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. 2015 Oct 7;71(Pt 11):1290–1295. doi: 10.1107/S2056989015018435
x y z Uiso*/Ueq
O1 0.21741 (6) 0.84171 (6) −0.00993 (6) 0.02370 (16)
O2 0.26015 (7) 0.62711 (6) 0.01082 (6) 0.02497 (16)
O3 −0.31475 (6) 0.79522 (6) −0.19102 (6) 0.02084 (15)
O4 1.32849 (7) 0.66282 (6) 0.36794 (6) 0.02574 (16)
O5 1.28863 (7) 0.87599 (6) 0.33722 (6) 0.02456 (15)
O6 1.86048 (6) 0.70388 (6) 0.55057 (5) 0.01982 (14)
N1 0.44816 (7) 0.80971 (7) 0.08178 (6) 0.01957 (16)
N2 1.08835 (7) 0.69161 (7) 0.29159 (6) 0.01975 (16)
C1 0.05619 (8) 0.74854 (8) −0.06643 (7) 0.01587 (16)
C2 −0.02538 (8) 0.86942 (8) −0.09987 (7) 0.01713 (16)
H2 0.0038 0.9435 −0.0934 0.021*
C3 −0.14819 (8) 0.88217 (8) −0.14234 (7) 0.01796 (17)
H3 −0.2024 0.9644 −0.1660 0.022*
C4 −0.19207 (8) 0.77306 (8) −0.15022 (7) 0.01676 (17)
C5 −0.11202 (8) 0.65191 (8) −0.11692 (7) 0.01732 (16)
H5 −0.1416 0.5779 −0.1222 0.021*
C6 0.01143 (8) 0.64099 (8) −0.07598 (7) 0.01671 (16)
H6 0.0665 0.5586 −0.0541 0.020*
C7 0.18746 (8) 0.73163 (8) −0.01851 (7) 0.01780 (17)
C8 −0.36390 (8) 0.68649 (8) −0.20224 (7) 0.01802 (17)
H8A −0.3609 0.6385 −0.1270 0.022*
H8B −0.3108 0.6283 −0.2576 0.022*
C9 −0.50170 (9) 0.73524 (9) −0.24460 (8) 0.02173 (18)
H9B −0.5034 0.7767 −0.3228 0.026*
H9A −0.5522 0.7999 −0.1931 0.026*
C10 −0.56236 (9) 0.62384 (9) −0.24724 (10) 0.0281 (2)
H10A −0.6465 0.6532 −0.2862 0.042*
H10B −0.5742 0.5925 −0.1684 0.042*
H10C −0.5053 0.5544 −0.2889 0.042*
C11 1.49360 (8) 0.75522 (8) 0.41394 (7) 0.01674 (16)
C12 1.57341 (9) 0.63400 (8) 0.44879 (7) 0.01858 (17)
H12 1.5434 0.5605 0.4418 0.022*
C13 1.69517 (9) 0.62010 (8) 0.49316 (7) 0.01892 (17)
H13 1.7485 0.5373 0.5164 0.023*
C14 1.74023 (8) 0.72791 (8) 0.50403 (7) 0.01712 (17)
C15 1.66235 (9) 0.84947 (8) 0.46796 (7) 0.01804 (17)
H15 1.6927 0.9229 0.4740 0.022*
C16 1.54008 (8) 0.86179 (8) 0.42315 (7) 0.01771 (17)
H16 1.4873 0.9443 0.3984 0.021*
C17 1.36100 (9) 0.77237 (8) 0.36890 (7) 0.01841 (17)
C18 1.91667 (8) 0.80929 (8) 0.55338 (7) 0.01815 (17)
H18A 1.8635 0.8761 0.6016 0.022*
H18B 1.9206 0.8477 0.4747 0.022*
C19 2.05137 (9) 0.75818 (9) 0.60313 (8) 0.02037 (18)
H19B 2.1028 0.6888 0.5564 0.024*
H19A 2.0465 0.7220 0.6825 0.024*
C20 2.11746 (9) 0.86578 (9) 0.60422 (9) 0.0277 (2)
H20A 2.0643 0.9360 0.6475 0.042*
H20B 2.1277 0.8972 0.5251 0.042*
H20C 2.2027 0.8330 0.6408 0.042*
C21 0.52853 (9) 0.69053 (9) 0.08870 (8) 0.02069 (18)
H21 0.4970 0.6220 0.0666 0.025*
C22 0.65531 (8) 0.66285 (8) 0.12658 (8) 0.01907 (17)
H22 0.7088 0.5771 0.1302 0.023*
C23 0.70378 (8) 0.76194 (8) 0.15928 (7) 0.01608 (16)
C24 0.61977 (8) 0.88583 (8) 0.15197 (7) 0.01863 (17)
H24 0.6488 0.9563 0.1730 0.022*
C25 0.49411 (8) 0.90534 (8) 0.11387 (7) 0.01989 (17)
H25 0.4380 0.9900 0.1103 0.024*
C26 1.02841 (8) 0.80376 (8) 0.23616 (7) 0.02020 (18)
H26 1.0730 0.8678 0.2273 0.024*
C27 0.90438 (8) 0.83033 (8) 0.19124 (7) 0.01839 (17)
H27 0.8655 0.9110 0.1527 0.022*
C28 0.83731 (8) 0.73745 (8) 0.20317 (7) 0.01565 (16)
C29 0.90043 (8) 0.62059 (8) 0.26043 (7) 0.01836 (17)
H29 0.8586 0.5544 0.2701 0.022*
C30 1.02416 (9) 0.60203 (8) 0.30285 (7) 0.02023 (18)
H30 1.0656 0.5222 0.3417 0.024*
H1 0.305 (2) 0.8292 (19) 0.0308 (18) 0.088 (6)*
H4 1.240 (2) 0.6740 (19) 0.3337 (16) 0.082 (6)*