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. 2018 Oct 16;74(Pt 11):1589–1594. doi: 10.1107/S2056989018014329
x y z Uiso*/Ueq
N1 0.8500 (2) 0.5670 (5) 0.21045 (11) 0.0608 (8)
H1A 0.892 (2) 0.494 (6) 0.2257 (13) 0.071 (12)*
N2 1.1251 (3) 0.4606 (7) 0.48886 (12) 0.0826 (11)
O1 0.98111 (17) 1.0824 (4) 0.33010 (9) 0.0713 (8)
O2 1.1071 (3) 0.2810 (6) 0.49214 (12) 0.1143 (13)
O3 1.1754 (2) 0.5484 (6) 0.51669 (11) 0.1137 (12)
C1 0.8028 (2) 0.5110 (6) 0.16995 (12) 0.0579 (9)
C2 0.8031 (3) 0.3301 (6) 0.14546 (14) 0.0712 (11)
H2A 0.8396 0.2200 0.1559 0.085*
C3 0.7485 (3) 0.3159 (7) 0.10529 (15) 0.0802 (12)
H3A 0.7470 0.1935 0.0877 0.096*
C4 0.6954 (3) 0.4782 (8) 0.09007 (15) 0.0802 (12)
H4A 0.6584 0.4637 0.0622 0.096*
C5 0.6950 (3) 0.6569 (7) 0.11385 (14) 0.0750 (12)
H5A 0.6590 0.7666 0.1025 0.090*
C6 0.7487 (2) 0.6766 (6) 0.15553 (13) 0.0620 (10)
C7 0.7659 (2) 0.8323 (6) 0.18888 (13) 0.0613 (10)
H7A 0.7388 0.9623 0.1884 0.074*
C8 0.8281 (2) 0.7644 (6) 0.22200 (12) 0.0569 (9)
C9 0.8692 (2) 0.8667 (6) 0.26162 (12) 0.0586 (10)
H9A 0.8545 1.0055 0.2656 0.070*
C10 0.9266 (2) 0.7848 (6) 0.29370 (12) 0.0603 (10)
H10A 0.9386 0.6439 0.2913 0.072*
C11 0.9717 (2) 0.8965 (6) 0.33203 (12) 0.0574 (9)
C12 1.0089 (2) 0.7823 (5) 0.37368 (12) 0.0560 (9)
C13 0.9864 (3) 0.5825 (6) 0.38163 (13) 0.0678 (11)
H13A 0.9450 0.5162 0.3605 0.081*
C14 1.0231 (3) 0.4790 (6) 0.41952 (13) 0.0694 (11)
H14A 1.0072 0.3421 0.4249 0.083*
C15 1.0831 (2) 0.5757 (6) 0.44943 (12) 0.0634 (10)
C16 1.1064 (3) 0.7740 (7) 0.44334 (14) 0.0729 (11)
H16A 1.1475 0.8391 0.4648 0.088*
C17 1.0683 (3) 0.8770 (6) 0.40510 (13) 0.0668 (11)
H17A 1.0832 1.0152 0.4004 0.080*
O1W 1.0000 0.3138 (6) 0.2500 0.0710 (11)
H1OW 1.012 (3) 0.237 (6) 0.2254 (14) 0.094 (15)*