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. 2020 May 5;76(Pt 6):798–802. doi: 10.1107/S2056989020005939
x y z Uiso*/Ueq
C1A 0.56889 (14) 0.53907 (11) 0.62210 (5) 0.0396 (3)
H1A 0.638920 0.526271 0.595013 0.047*
N1A 0.41985 (13) 0.50532 (11) 0.60023 (5) 0.0437 (3)
H1N1 0.4106 (19) 0.4334 (16) 0.5970 (7) 0.066*
O1A 0.43505 (13) 0.56864 (10) 0.72308 (4) 0.0584 (3)
H1OA 0.438 (2) 0.6117 (18) 0.6953 (9) 0.088*
C2A 0.61653 (14) 0.47595 (12) 0.67387 (5) 0.0405 (3)
N2A 0.56102 (14) 0.65756 (10) 0.63467 (4) 0.0435 (3)
H1NA 0.646 (2) 0.6821 (15) 0.6495 (7) 0.065*
O1B 0.04282 (12) 0.30406 (13) 0.63319 (5) 0.0708 (4)
H1OB 0.043 (3) 0.318 (2) 0.6666 (10) 0.106*
N1B 0.20034 (13) 0.37845 (10) 0.73446 (4) 0.0411 (3)
H1NB 0.2567 (17) 0.4294 (14) 0.7230 (6) 0.049*
C1B 0.25725 (13) 0.26647 (11) 0.72676 (5) 0.0375 (3)
H1B 0.347428 0.254276 0.751615 0.045*
C3A 0.54903 (15) 0.49467 (12) 0.72131 (5) 0.0443 (3)
C2B 0.28946 (14) 0.24906 (11) 0.66876 (5) 0.0369 (3)
N2B 0.14081 (13) 0.19020 (11) 0.74018 (5) 0.0419 (3)
H2NB 0.1541 (17) 0.1222 (14) 0.7310 (6) 0.050*
C4A 0.59490 (18) 0.43710 (15) 0.76890 (6) 0.0582 (4)
H4A 0.550760 0.450973 0.800663 0.070*
C3B 0.17999 (14) 0.26533 (12) 0.62532 (5) 0.0433 (3)
C5A 0.70642 (19) 0.35908 (16) 0.76890 (7) 0.0661 (5)
H5A 0.736838 0.320194 0.800742 0.079*
C4B 0.20960 (17) 0.24421 (13) 0.57226 (6) 0.0503 (4)
H4B 0.135102 0.252304 0.543578 0.060*
C6A 0.77248 (17) 0.33852 (16) 0.72245 (8) 0.0645 (5)
H6A 0.846957 0.285454 0.722639 0.077*
C5B 0.34887 (19) 0.21132 (14) 0.56196 (6) 0.0568 (4)
H5B 0.368794 0.198052 0.526223 0.068*
C7A 0.72813 (15) 0.39693 (14) 0.67520 (6) 0.0519 (4)
H7A 0.773844 0.383022 0.643784 0.062*
C6B 0.45901 (18) 0.19793 (14) 0.60424 (7) 0.0582 (4)
H6B 0.553804 0.177175 0.597066 0.070*
C9A 0.35196 (14) 0.56636 (11) 0.55642 (5) 0.0378 (3)
C7B 0.42863 (15) 0.21533 (12) 0.65727 (6) 0.0456 (3)
H7B 0.502848 0.204217 0.685787 0.055*
C10A 0.38759 (13) 0.68071 (11) 0.55413 (5) 0.0348 (3)
C9B 0.15927 (15) 0.40010 (13) 0.78695 (5) 0.0444 (3)
C11A 0.49532 (14) 0.72763 (11) 0.59321 (5) 0.0379 (3)
C10B 0.10259 (14) 0.30998 (13) 0.81524 (5) 0.0455 (3)
C12A 0.52565 (18) 0.83872 (12) 0.59224 (6) 0.0494 (4)
H12A 0.597660 0.868995 0.617626 0.059*
C11B 0.09143 (14) 0.20261 (12) 0.79161 (5) 0.0422 (3)
C13A 0.44833 (19) 0.90655 (13) 0.55310 (6) 0.0559 (4)
H13A 0.468574 0.982195 0.553059 0.067*
C12B 0.02694 (16) 0.11725 (16) 0.81762 (6) 0.0578 (4)
H12B 0.018478 0.047355 0.801591 0.069*
C14A 0.34396 (17) 0.86426 (13) 0.51502 (6) 0.0509 (4)
H14A 0.293631 0.911237 0.489454 0.061*
C13B −0.0259 (2) 0.1357 (2) 0.86819 (8) 0.0763 (6)
H13B −0.069782 0.077655 0.885520 0.092*
C15A 0.31142 (14) 0.75013 (12) 0.51393 (5) 0.0407 (3)
C14B −0.0142 (2) 0.2368 (2) 0.89238 (8) 0.0829 (7)
H14B −0.048187 0.246358 0.926437 0.099*
C16A 0.20329 (16) 0.70134 (14) 0.47590 (5) 0.0508 (4)
H16A 0.152944 0.744820 0.448781 0.061*
C15B 0.04892 (18) 0.32860 (18) 0.86688 (6) 0.0644 (5)
C17A 0.17231 (16) 0.59168 (15) 0.47860 (6) 0.0552 (4)
H17A 0.100450 0.561244 0.453204 0.066*
C16B 0.0568 (2) 0.4373 (2) 0.88808 (8) 0.0871 (7)
H16B 0.023178 0.451434 0.921832 0.105*
C18A 0.24558 (16) 0.52286 (13) 0.51861 (6) 0.0505 (4)
H18A 0.222179 0.447803 0.519553 0.061*
C18B 0.1656 (2) 0.50467 (16) 0.80913 (7) 0.0639 (4)
H18B 0.204313 0.563464 0.790689 0.077*
C17B 0.1125 (3) 0.5215 (2) 0.86015 (8) 0.0844 (6)
H17B 0.115746 0.592467 0.875106 0.101*