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. 2019 Jan 11;75(Pt 2):202–207. doi: 10.1107/S2056989019000458
x y z Uiso*/Ueq
N1 0.36051 (17) 0.62727 (15) 0.3017 (3) 0.0249 (5)
C2 0.3856 (2) 0.71107 (18) 0.2369 (5) 0.0302 (6)
H2A 0.3597 0.7197 0.1138 0.036*
H2B 0.4546 0.7163 0.2299 0.036*
C3 0.3470 (2) 0.77682 (17) 0.3641 (4) 0.0302 (6)
H3A 0.3686 0.8328 0.3249 0.036*
H3B 0.2777 0.7762 0.3590 0.036*
N4 0.37766 (17) 0.76146 (14) 0.5509 (4) 0.0265 (5)
C5 0.3658 (2) 0.67513 (15) 0.6138 (4) 0.0247 (5)
H5A 0.2984 0.6633 0.6317 0.030*
H5B 0.3979 0.6679 0.7317 0.030*
C6 0.40582 (18) 0.61456 (18) 0.4776 (4) 0.0243 (6)
H6A 0.4742 0.6236 0.4659 0.029*
H6B 0.3953 0.5564 0.5193 0.029*
C11 0.3880 (2) 0.5620 (2) 0.1720 (4) 0.0320 (7)
H11A 0.4569 0.5628 0.1566 0.038*
H11B 0.3592 0.5740 0.0526 0.038*
O11 0.26117 (18) 0.25056 (13) 0.4272 (4) 0.0445 (6)
C12 0.1638 (3) 0.2617 (2) 0.3896 (6) 0.0426 (8)
H12A 0.1431 0.2208 0.2971 0.051*
H12B 0.1266 0.2526 0.5011 0.051*
O13 0.15012 (16) 0.34454 (15) 0.3247 (4) 0.0436 (6)
C3A 0.2382 (2) 0.37818 (18) 0.3049 (5) 0.0295 (6)
C14 0.2621 (2) 0.45542 (17) 0.2400 (4) 0.0299 (6)
H14 0.2157 0.4937 0.1993 0.036*
C15 0.35761 (19) 0.47614 (18) 0.2356 (4) 0.0276 (6)
C16 0.4231 (2) 0.4189 (2) 0.2983 (4) 0.0309 (6)
H16 0.4875 0.4339 0.2961 0.037*
C17 0.3983 (2) 0.34019 (19) 0.3646 (5) 0.0336 (7)
H17 0.4438 0.3015 0.4067 0.040*
C7A 0.3045 (2) 0.32183 (18) 0.3656 (4) 0.0317 (6)
C47 0.4015 (2) 0.82057 (17) 0.6718 (4) 0.0262 (6)
O47 0.41835 (17) 0.80559 (13) 0.8317 (3) 0.0366 (5)
C41 0.4064 (2) 0.91022 (16) 0.6064 (5) 0.0277 (6)
C42 0.3281 (2) 0.96071 (19) 0.5945 (6) 0.0384 (8)
F42 0.24359 (14) 0.92331 (12) 0.6222 (4) 0.0620 (8)
C43 0.3316 (3) 1.0447 (2) 0.5555 (7) 0.0476 (9)
H43 0.2760 1.0772 0.5492 0.057*
C44 0.4181 (3) 1.0804 (2) 0.5258 (5) 0.0432 (9)
H44 0.4221 1.1383 0.4980 0.052*
C45 0.4992 (2) 1.03346 (19) 0.5357 (5) 0.0375 (8)
H45 0.5587 1.0584 0.5158 0.045*
C46 0.4913 (2) 0.94955 (18) 0.5754 (5) 0.0303 (6)
F46 0.56966 (12) 0.90206 (13) 0.5843 (4) 0.0464 (6)