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. 2011 Feb 19;67(Pt 3):o669. doi: 10.1107/S1600536811005654
x y z Uiso*/Ueq
O1 0.92795 (11) 1.07035 (6) 0.37556 (4) 0.01618 (12)
O2 0.40529 (12) 0.45052 (6) 0.71989 (4) 0.02109 (13)
O3 0.12666 (12) 0.41865 (6) 0.64166 (5) 0.02143 (13)
N1 0.78463 (12) 0.88673 (7) 0.50035 (5) 0.01369 (12)
H1 0.8751 0.8904 0.5431 0.016*
N2 0.61923 (12) 0.93607 (7) 0.36748 (4) 0.01292 (12)
N3 0.29292 (13) 0.48382 (7) 0.65097 (5) 0.01591 (13)
C1 0.79248 (13) 0.97452 (8) 0.41127 (5) 0.01294 (13)
C2 0.50448 (13) 0.82444 (7) 0.42883 (5) 0.01255 (13)
C3 0.61268 (13) 0.79137 (8) 0.51286 (5) 0.01240 (13)
C4 0.54726 (13) 0.68061 (8) 0.58770 (5) 0.01379 (13)
H4 0.6229 0.6565 0.6437 0.017*
C5 0.36219 (13) 0.60623 (7) 0.57568 (5) 0.01384 (13)
C6 0.24677 (14) 0.63920 (8) 0.49481 (6) 0.01500 (13)
H6 0.1193 0.5860 0.4912 0.018*
C7 0.31799 (14) 0.75013 (8) 0.41917 (5) 0.01431 (13)
H7 0.2421 0.7740 0.3632 0.017*
C8 0.56136 (14) 1.00911 (8) 0.27295 (5) 0.01453 (13)
H8A 0.6475 1.0948 0.2508 0.017*
H8B 0.3804 1.0338 0.2778 0.017*
C9 0.63787 (14) 0.92606 (8) 0.19926 (5) 0.01496 (13)
H9A 0.5714 0.9758 0.1402 0.018*
H9B 0.5589 0.8382 0.2237 0.018*
C10 0.91760 (14) 0.89612 (8) 0.17380 (5) 0.01536 (14)
H10A 0.9848 0.8397 0.2311 0.018*
H10B 1.0005 0.9829 0.1522 0.018*
C11 0.97314 (15) 0.82089 (8) 0.09493 (6) 0.01648 (14)
H11A 0.8959 0.7325 0.1186 0.020*
H11B 0.8936 0.8751 0.0400 0.020*
C12 1.24889 (15) 0.79376 (8) 0.06003 (6) 0.01714 (14)
H12A 1.3281 0.7349 0.1137 0.021*
H12B 1.3293 0.8813 0.0386 0.021*
C13 1.29159 (14) 0.72462 (8) −0.02204 (6) 0.01650 (14)
H13A 1.2188 0.6349 0.0010 0.020*
H13B 1.2018 0.7809 −0.0735 0.020*
C14 1.56428 (15) 0.70296 (8) −0.06374 (6) 0.01707 (14)
H14A 1.6346 0.7928 −0.0918 0.020*
H14B 1.6575 0.6522 −0.0118 0.020*
C15 1.59873 (15) 0.62433 (9) −0.14015 (6) 0.01812 (15)
H15A 1.5350 0.5330 −0.1111 0.022*
H15B 1.4981 0.6728 −0.1903 0.022*
C16 1.86819 (17) 0.60708 (10) −0.18635 (7) 0.02506 (18)
H16A 1.9271 0.6967 −0.2215 0.038*
H16B 1.8795 0.5492 −0.2304 0.038*
H16C 1.9712 0.5643 −0.1368 0.038*