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. 2017 Mar 14;73(Pt 4):511–514. doi: 10.1107/S2056989017003218
x y z Uiso*/Ueq
S1 0.18342 (2) 0.24406 (4) 0.20047 (2) 0.02336 (9)
O1 −0.09228 (8) −0.40177 (12) 0.13728 (8) 0.0385 (3)
N1 −0.12541 (8) −0.30589 (14) 0.08755 (8) 0.0284 (3)
C1 −0.08817 (8) −0.15360 (15) 0.09366 (8) 0.0233 (3)
C2 −0.01765 (9) −0.12471 (16) 0.15533 (9) 0.0281 (3)
H2 0.0060 −0.2015 0.1935 0.034*
O2 −0.18878 (8) −0.32885 (13) 0.03293 (8) 0.0398 (3)
N2 0.21145 (7) 0.51326 (12) 0.14588 (7) 0.0197 (2)
C3 0.01769 (9) 0.01841 (16) 0.16020 (9) 0.0281 (3)
H3 0.0656 0.0402 0.2027 0.034*
O3 0.08023 (6) 0.58248 (11) 0.07287 (7) 0.0285 (2)
N3 0.33242 (7) 0.41049 (12) 0.22794 (7) 0.0243 (2)
C4 −0.01599 (8) 0.13165 (14) 0.10343 (8) 0.0208 (2)
O4 0.23121 (8) 0.72664 (12) 0.26528 (7) 0.0359 (3)
C5 −0.08835 (8) 0.09794 (15) 0.04270 (9) 0.0240 (3)
H5 −0.1128 0.1742 0.0046 0.029*
O5 0.45456 (6) 0.24066 (12) 0.17337 (7) 0.0299 (2)
C6 −0.12451 (9) −0.04434 (16) 0.03746 (9) 0.0263 (3)
H6 −0.1733 −0.0666 −0.0039 0.032*
C7 0.02086 (8) 0.28231 (14) 0.10052 (8) 0.0215 (2)
H7 −0.0160 0.3543 0.0692 0.026*
C8 0.09867 (8) 0.33479 (14) 0.13522 (8) 0.0196 (2)
C10 0.25405 (8) 0.39911 (13) 0.19484 (8) 0.0186 (2)
C24 0.52583 (11) 0.1648 (2) 0.14553 (11) 0.0417 (4)
H24A 0.5792 0.1890 0.1839 0.063*
H24B 0.5313 0.1974 0.0877 0.063*
H24C 0.5159 0.0559 0.1459 0.063*
C22 0.44054 (8) 0.21301 (15) 0.25472 (9) 0.0248 (3)
C21 0.48700 (9) 0.11030 (17) 0.30961 (10) 0.0320 (3)
H21 0.5336 0.0556 0.2922 0.038*
C20 0.46488 (11) 0.0882 (2) 0.38997 (11) 0.0401 (4)
H20 0.4965 0.0174 0.4272 0.048*
C19 0.39771 (11) 0.1670 (2) 0.41689 (11) 0.0400 (4)
H19 0.3829 0.1502 0.4720 0.048*
C17 0.37238 (8) 0.29463 (15) 0.28143 (9) 0.0240 (3)
C9 0.12547 (8) 0.48965 (14) 0.11388 (8) 0.0197 (2)
C16 0.26397 (9) 0.76094 (15) 0.19277 (9) 0.0252 (3)
C23 0.23024 (13) 0.8433 (2) 0.32592 (11) 0.0458 (4)
H23A 0.2899 0.8730 0.3479 0.069*
H23B 0.2016 0.8074 0.3729 0.069*
H23C 0.1986 0.9302 0.2989 0.069*
C15 0.30410 (9) 0.89616 (16) 0.17808 (10) 0.0316 (3)
H15 0.3118 0.9722 0.2206 0.038*
C14 0.33285 (10) 0.91874 (18) 0.10035 (12) 0.0383 (4)
H14 0.3593 1.0118 0.0898 0.046*
C13 0.32383 (10) 0.80902 (19) 0.03814 (11) 0.0374 (3)
H13 0.3438 0.8260 −0.0146 0.045*
C12 0.28481 (9) 0.67286 (16) 0.05420 (9) 0.0278 (3)
H12 0.2790 0.5954 0.0125 0.033*
C11 0.25487 (8) 0.65060 (14) 0.13014 (8) 0.0206 (2)
C18 0.35185 (9) 0.27144 (18) 0.36216 (10) 0.0324 (3)
H18 0.3061 0.3272 0.3805 0.039*