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. 2017 Jun 20;73(Pt 7):1056–1061. doi: 10.1107/S2056989017008817
x y z Uiso*/Ueq
N1 0.8295 (2) 0.71404 (10) 0.35827 (9) 0.0141 (3)
H1 0.937 (3) 0.7311 (14) 0.3283 (12) 0.017*
N2 0.8025 (2) 0.61115 (11) 0.37468 (9) 0.0181 (3)
N3 0.6329 (2) 0.60429 (11) 0.40878 (9) 0.0178 (3)
N4 0.5480 (2) 0.70155 (10) 0.41515 (9) 0.0162 (3)
C5 0.6732 (2) 0.76797 (12) 0.38346 (10) 0.0128 (3)
C6 0.6426 (2) 0.88578 (12) 0.37832 (11) 0.0142 (3)
H6A 0.697088 0.918049 0.432299 0.017*
H6B 0.721587 0.914793 0.335095 0.017*
N7 0.42480 (19) 0.91361 (10) 0.35817 (9) 0.0132 (3)
C8 0.3282 (2) 0.90418 (12) 0.27155 (10) 0.0151 (3)
H8A 0.416201 0.939648 0.234379 0.018*
H8B 0.192815 0.940317 0.265472 0.018*
C9 0.2981 (2) 0.79121 (12) 0.24561 (10) 0.0128 (3)
N10 0.1481 (2) 0.72878 (10) 0.26607 (9) 0.0152 (3)
N11 0.1891 (2) 0.63274 (11) 0.23517 (9) 0.0164 (3)
N12 0.3573 (2) 0.63861 (11) 0.19785 (9) 0.0176 (3)
N13 0.4297 (2) 0.73864 (11) 0.20361 (9) 0.0165 (3)
N14 0.3000 (2) 0.89963 (10) 0.41915 (9) 0.0140 (3)
O15 0.38074 (18) 0.89379 (9) 0.49195 (7) 0.0185 (3)
O16 0.11190 (17) 0.89812 (9) 0.39797 (8) 0.0189 (3)
C17 −0.0806 (2) 0.68873 (12) 0.58804 (10) 0.0133 (3)
N18 0.0711 (2) 0.72677 (11) 0.54903 (9) 0.0170 (3)
H18 0.086 (3) 0.7929 (16) 0.5481 (12) 0.020*
N19 0.2228 (2) 0.65585 (12) 0.52819 (11) 0.0209 (3)
H19A 0.255 (3) 0.6740 (16) 0.4767 (14) 0.027*
H19B 0.337 (3) 0.6698 (16) 0.5647 (14) 0.027*
N20 −0.2213 (2) 0.75296 (10) 0.61240 (9) 0.0145 (3)
H20 −0.311 (3) 0.7310 (14) 0.6435 (12) 0.017*
N21 −0.1977 (2) 0.86203 (11) 0.59874 (10) 0.0181 (3)
H21A −0.139 (3) 0.8920 (16) 0.6454 (14) 0.024*
H21B −0.324 (3) 0.8875 (15) 0.5871 (13) 0.024*
N22 −0.0899 (2) 0.58573 (11) 0.60267 (9) 0.0160 (3)
H22 −0.002 (3) 0.5432 (15) 0.5856 (12) 0.019*
N23 −0.2648 (2) 0.54700 (12) 0.63607 (11) 0.0212 (3)
H23A −0.221 (3) 0.4982 (17) 0.6733 (14) 0.028*
H23B −0.346 (3) 0.5116 (16) 0.5941 (14) 0.028*