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. 2017 May 19;73(Pt 6):864–866. doi: 10.1107/S2056989017007277
x y z Uiso*/Ueq
N1 0.09256 (2) 0.51979 (13) 0.25747 (5) 0.0358 (2)
N2 0.40754 (2) 0.51181 (13) 0.99141 (5) 0.0375 (2)
C1 0.08446 (3) 0.34286 (16) 0.30095 (7) 0.0408 (3)
H1A 0.0960 0.3411 0.3561 0.049*
H1B 0.0921 0.2325 0.2692 0.049*
C2 0.04725 (3) 0.32626 (19) 0.31130 (8) 0.0510 (3)
H2A 0.0358 0.3157 0.2562 0.061*
H2B 0.0426 0.2097 0.3429 0.061*
C3 0.03424 (3) 0.4991 (2) 0.35658 (8) 0.0531 (3)
H3A 0.0432 0.4996 0.4145 0.064*
H3B 0.0100 0.4920 0.3576 0.064*
C4 0.04421 (3) 0.6818 (2) 0.31330 (8) 0.0524 (3)
H4A 0.0375 0.7929 0.3461 0.063*
H4B 0.0327 0.6893 0.2581 0.063*
C5 0.08159 (3) 0.68738 (16) 0.30341 (7) 0.0429 (3)
H5A 0.0874 0.8043 0.2734 0.051*
H5B 0.0930 0.6906 0.3587 0.051*
C6 0.12794 (3) 0.52990 (17) 0.24185 (7) 0.0408 (3)
H6A 0.1319 0.6458 0.2091 0.049*
H6B 0.1337 0.4192 0.2077 0.049*
C7 0.15040 (3) 0.53310 (16) 0.31739 (7) 0.0390 (3)
C8 0.16846 (3) 0.53582 (15) 0.37892 (7) 0.0363 (3)
C9 0.19232 (3) 0.53774 (13) 0.44832 (6) 0.0326 (2)
C10 0.22585 (3) 0.50840 (14) 0.43383 (6) 0.0335 (2)
H10A 0.2324 0.4867 0.3790 0.040*
C11 0.24966 (2) 0.51066 (14) 0.49867 (6) 0.0313 (2)
H11A 0.2721 0.4898 0.4873 0.038*
C12 0.24091 (2) 0.54353 (13) 0.58071 (6) 0.0284 (2)
C13 0.20725 (2) 0.57162 (15) 0.59484 (6) 0.0355 (2)
H13A 0.2007 0.5932 0.6497 0.043*
C14 0.18335 (3) 0.56848 (16) 0.53020 (6) 0.0378 (3)
H14A 0.1609 0.5872 0.5416 0.045*
C15 0.26622 (2) 0.54789 (13) 0.65079 (6) 0.0281 (2)
C16 0.26055 (2) 0.64996 (14) 0.72383 (6) 0.0326 (2)
H16A 0.2409 0.7220 0.7272 0.039*
C17 0.28313 (2) 0.64730 (14) 0.79115 (6) 0.0331 (2)
H17A 0.2786 0.7173 0.8395 0.040*
C18 0.31256 (2) 0.54258 (14) 0.78869 (6) 0.0316 (2)
C19 0.31910 (2) 0.44566 (15) 0.71481 (6) 0.0337 (2)
H19A 0.3391 0.3779 0.7108 0.040*
C20 0.29630 (2) 0.44858 (14) 0.64742 (6) 0.0312 (2)
H20A 0.3012 0.3823 0.5983 0.037*
C21 0.33448 (2) 0.53494 (15) 0.86180 (6) 0.0352 (2)
C22 0.35066 (3) 0.53208 (16) 0.92647 (7) 0.0390 (3)
C23 0.37192 (3) 0.52602 (18) 1.00433 (7) 0.0424 (3)
H23A 0.3679 0.6422 1.0368 0.051*
H23B 0.3653 0.4158 1.0377 0.051*
C24 0.41943 (3) 0.68044 (16) 0.94747 (7) 0.0413 (3)
H24A 0.4138 0.7965 0.9784 0.050*
H24B 0.4083 0.6878 0.8919 0.050*
C25 0.45676 (3) 0.67152 (19) 0.93867 (7) 0.0498 (3)
H25A 0.4640 0.7830 0.9069 0.060*
H25B 0.4680 0.6759 0.9942 0.060*
C26 0.46631 (3) 0.48932 (19) 0.89439 (8) 0.0519 (3)
H26A 0.4906 0.4800 0.8937 0.062*
H26B 0.4575 0.4927 0.8364 0.062*
C27 0.45268 (3) 0.3159 (2) 0.93827 (8) 0.0528 (3)
H27A 0.4638 0.3029 0.9937 0.063*
H27B 0.4572 0.2000 0.9061 0.063*
C28 0.41548 (3) 0.33533 (17) 0.94746 (7) 0.0434 (3)
H28A 0.4042 0.3357 0.8920 0.052*
H28B 0.4074 0.2248 0.9784 0.052*