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. 2015 Jan 1;71(Pt 1):35–37. doi: 10.1107/S2056989014026358
x y z Uiso*/Ueq
C11 0.4692 (3) 0.24563 (8) 0.36467 (7) 0.0255 (5)
C12 0.4156 (3) 0.28709 (9) 0.34210 (7) 0.0316 (5)
H12 0.4758 0.3164 0.3444 0.038*
C13 0.2746 (3) 0.28525 (11) 0.31643 (9) 0.0426 (7)
H13 0.2381 0.3134 0.3010 0.051*
C14 0.1865 (3) 0.24267 (12) 0.31313 (10) 0.0504 (8)
H14 0.0888 0.2418 0.2958 0.060*
C15 0.2393 (4) 0.20147 (11) 0.33483 (10) 0.0453 (7)
H15 0.1790 0.1722 0.3322 0.054*
C16 0.3810 (3) 0.20282 (9) 0.36059 (8) 0.0326 (6)
H16 0.4178 0.1744 0.3755 0.039*
C1 0.6212 (3) 0.24786 (8) 0.39198 (6) 0.0222 (4)
O1 0.7037 (2) 0.28433 (5) 0.39542 (5) 0.0300 (4)
C2 0.6774 (3) 0.20274 (8) 0.41744 (7) 0.0220 (5)
C21 0.6542 (3) 0.20065 (8) 0.46670 (6) 0.0234 (5)
C22 0.5622 (3) 0.23566 (9) 0.48904 (7) 0.0291 (5)
H22 0.5110 0.2608 0.4723 0.035*
C23 0.5449 (3) 0.23409 (10) 0.53561 (8) 0.0344 (6)
H23 0.4825 0.2582 0.5507 0.041*
C24 0.6182 (3) 0.19755 (11) 0.55991 (8) 0.0401 (6)
H24 0.6067 0.1966 0.5917 0.048*
C25 0.7083 (4) 0.16228 (11) 0.53816 (8) 0.0406 (7)
H25 0.7575 0.1369 0.5550 0.049*
C26 0.7272 (3) 0.16376 (9) 0.49169 (8) 0.0332 (6)
H26 0.7901 0.1396 0.4769 0.040*
N1 0.7555 (2) 0.16872 (7) 0.39690 (6) 0.0265 (4)
N2 0.7675 (2) 0.17867 (7) 0.35026 (6) 0.0255 (4)
C3 0.8450 (3) 0.14520 (8) 0.32965 (7) 0.0245 (5)
H3 0.8903 0.1192 0.3465 0.029*
C31 0.8657 (3) 0.14596 (8) 0.28078 (7) 0.0252 (5)
C32 0.9510 (3) 0.10863 (9) 0.25997 (8) 0.0307 (5)
H32 0.9991 0.0838 0.2777 0.037*
C33 0.9664 (3) 0.10743 (10) 0.21338 (8) 0.0383 (6)
H33 1.0228 0.0814 0.1993 0.046*
C34 0.9002 (3) 0.14389 (9) 0.18749 (8) 0.0371 (6)
H34 0.9115 0.1431 0.1556 0.045*
C35 0.8166 (3) 0.18203 (10) 0.20799 (8) 0.0346 (6)
H35 0.7721 0.2074 0.1902 0.041*
C36 0.7987 (3) 0.18291 (9) 0.25427 (8) 0.0294 (5)
H36 0.7406 0.2087 0.2682 0.035*