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. 2009 Jun 27;65(Pt 7):o1685–o1686. doi: 10.1107/S1600536809022363
x y z Uiso*/Ueq
O1 0.75439 (18) 0.26491 (11) 0.44189 (6) 0.0196 (3)
C2 0.8863 (3) 0.34214 (16) 0.41773 (8) 0.0188 (3)
N3 0.8136 (2) 0.44240 (13) 0.38381 (7) 0.0178 (3)
N4 0.6120 (2) 0.47290 (13) 0.39003 (6) 0.0166 (3)
C5 0.5006 (2) 0.36039 (15) 0.37440 (7) 0.0165 (3)
H5 0.3593 0.3803 0.3796 0.020*
C6 0.5509 (2) 0.25838 (16) 0.42207 (8) 0.0163 (3)
H6 0.4683 0.2717 0.4602 0.020*
C7 0.5138 (3) 0.12801 (16) 0.39890 (8) 0.0187 (3)
C8 0.6638 (3) 0.05224 (17) 0.37881 (9) 0.0262 (4)
H8 0.7946 0.0806 0.3807 0.031*
C9 0.6234 (4) −0.06520 (19) 0.35596 (10) 0.0326 (5)
H9 0.7270 −0.1166 0.3421 0.039*
C10 0.4342 (4) −0.10773 (17) 0.35327 (9) 0.0320 (5)
H10 0.4073 −0.1883 0.3380 0.038*
C11 0.2841 (3) −0.03214 (19) 0.37300 (10) 0.0315 (4)
H11 0.1535 −0.0608 0.3710 0.038*
C12 0.3230 (3) 0.08577 (17) 0.39586 (9) 0.0251 (4)
H12 0.2191 0.1373 0.4094 0.030*
C13 0.5331 (3) 0.32666 (16) 0.30550 (8) 0.0208 (3)
H13A 0.4971 0.3968 0.2788 0.031*
H13B 0.4523 0.2552 0.2946 0.031*
H13C 0.6706 0.3063 0.2988 0.031*
C14 0.5736 (3) 0.52506 (17) 0.45405 (8) 0.0225 (4)
H14 0.6017 0.4607 0.4865 0.027*
C15 0.7025 (3) 0.63686 (18) 0.46590 (10) 0.0310 (4)
H15A 0.8396 0.6123 0.4632 0.046*
H15B 0.6756 0.6700 0.5079 0.046*
H15C 0.6752 0.7002 0.4342 0.046*
C16 0.3600 (3) 0.5623 (2) 0.45843 (11) 0.0344 (5)
H16B 0.2776 0.4899 0.4511 0.052*
H16A 0.3318 0.6253 0.4266 0.052*
H16C 0.3334 0.5958 0.5004 0.052*
C17 0.9228 (2) 0.50008 (16) 0.33572 (8) 0.0195 (3)
C18 0.8239 (3) 0.60532 (17) 0.30136 (9) 0.0245 (4)
H18A 0.7224 0.5718 0.2730 0.029*
H18B 0.7594 0.6601 0.3323 0.029*
C19 0.9691 (3) 0.6793 (2) 0.26320 (11) 0.0344 (5)
H19C 0.9013 0.7465 0.2414 0.052*
H19B 1.0317 0.6254 0.2322 0.052*
H19A 1.0682 0.7139 0.2913 0.052*
O20 1.08450 (19) 0.46487 (14) 0.32269 (7) 0.0296 (3)
O21 1.05596 (18) 0.32428 (13) 0.42830 (6) 0.0266 (3)