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. 2009 Jan 17;65(Pt 2):o330. doi: 10.1107/S1600536809001470
x y z Uiso*/Ueq
O1 0.66613 (12) 0.62373 (18) −0.03281 (8) 0.0712 (6)
O2 0.53649 (13) 0.8021 (2) −0.11913 (9) 0.0837 (7)
N1 0.62925 (12) 0.57325 (17) 0.08026 (8) 0.0485 (5)
N2 0.55538 (12) 0.61513 (18) 0.11211 (9) 0.0540 (6)
C3 0.49372 (15) 0.7059 (2) 0.06310 (11) 0.0526 (6)
C4 0.52380 (15) 0.7271 (2) −0.00295 (10) 0.0512 (7)
C5 0.61166 (15) 0.6395 (2) 0.01114 (10) 0.0514 (7)
C6 0.70789 (14) 0.4754 (2) 0.12184 (10) 0.0480 (6)
C7 0.77805 (16) 0.4233 (3) 0.09027 (12) 0.0651 (8)
C8 0.85362 (18) 0.3279 (3) 0.13225 (13) 0.0744 (9)
C9 0.85957 (17) 0.2840 (3) 0.20516 (12) 0.0668 (8)
C10 0.78986 (16) 0.3365 (2) 0.23610 (11) 0.0617 (7)
C11 0.71414 (15) 0.4321 (2) 0.19540 (10) 0.0547 (7)
C12 0.48768 (17) 0.8096 (2) −0.07168 (12) 0.0612 (7)
C13 0.39531 (18) 0.9041 (3) −0.09255 (13) 0.0753 (9)
C14 0.40749 (17) 0.7731 (3) 0.08202 (13) 0.0771 (9)
O21 0.23044 (14) 0.0334 (2) 0.01074 (9) 0.0987 (8)
O22 0.18315 (17) 0.1293 (3) −0.12625 (11) 0.1230 (10)
N21 0.11930 (13) 0.1209 (2) 0.07053 (9) 0.0632 (7)
N22 0.03141 (16) 0.2078 (3) 0.04976 (11) 0.0871 (9)
C23 0.01369 (18) 0.2479 (3) −0.02204 (13) 0.0760 (9)
C24 0.08731 (16) 0.1905 (2) −0.05120 (11) 0.0617 (8)
C25 0.15261 (17) 0.1086 (2) 0.01064 (12) 0.0622 (8)
C26 0.15670 (17) 0.0590 (2) 0.14600 (11) 0.0591 (7)
C27 0.2554 (2) 0.0047 (3) 0.17540 (14) 0.0830 (10)
C28 0.2890 (2) −0.0560 (3) 0.24905 (15) 0.0940 (11)
C29 0.2273 (2) −0.0600 (3) 0.29305 (14) 0.0882 (10)
C30 0.1312 (2) −0.0014 (3) 0.26406 (14) 0.0818 (10)
C31 0.09504 (19) 0.0573 (3) 0.19051 (12) 0.0706 (8)
C32 0.1070 (2) 0.2010 (3) −0.12067 (13) 0.0786 (10)
C33 0.0467 (2) 0.2899 (3) −0.18792 (13) 0.0988 (11)
C34 −0.0776 (2) 0.3424 (4) −0.06259 (17) 0.1267 (14)
H1O 0.64280 0.67500 −0.07140 0.1070*
H7 0.77450 0.45230 0.04090 0.0780*
H8 0.90090 0.29290 0.11090 0.0890*
H9 0.91040 0.21950 0.23310 0.0800*
H10 0.79360 0.30710 0.28550 0.0740*
H11 0.66750 0.46730 0.21730 0.0660*
H13A 0.38720 0.95360 −0.14030 0.1130*
H13B 0.40330 0.97420 −0.05220 0.1130*
H13C 0.33570 0.84560 −0.09860 0.1130*
H14A 0.34390 0.75280 0.04120 0.1160*
H14B 0.41750 0.87630 0.08720 0.1160*
H14C 0.40560 0.73360 0.12990 0.1160*
H21O 0.23880 0.04250 −0.03110 0.1480*
H27 0.29860 0.00880 0.14640 0.1000*
H28 0.35480 −0.09470 0.26880 0.1130*
H29 0.25040 −0.10200 0.34210 0.1060*
H30 0.08950 −0.00120 0.29430 0.0980*
H31 0.02910 0.09560 0.17120 0.0850*
H33A 0.06630 0.26630 −0.23180 0.1480*
H33B 0.05960 0.39110 −0.17560 0.1480*
H33C −0.02510 0.27020 −0.20000 0.1480*
H34A −0.11410 0.36330 −0.02790 0.1910*
H34B −0.12220 0.29250 −0.10740 0.1910*
H34C −0.05460 0.43150 −0.07830 0.1910*