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. 2013 Jun 8;69(Pt 7):o1048. doi: 10.1107/S160053681301550X
x y z Uiso*/Ueq
N21 0.64309 (14) −0.19503 (16) 0.46008 (14) 0.0171 (3)
H21 0.5815 −0.1069 0.4627 0.047 (6)*
N24 0.36841 (13) −0.12143 (15) 0.61217 (14) 0.0160 (3)
C1 0.62390 (16) −0.34160 (19) 0.52069 (17) 0.0179 (4)
C2 0.74472 (17) −0.4492 (2) 0.48647 (18) 0.0190 (4)
H2A 0.7600 −0.5592 0.5123 0.023*
C3 0.83431 (17) −0.36651 (19) 0.41037 (17) 0.0185 (4)
H3A 0.9229 −0.4090 0.3740 0.022*
C4 0.77200 (16) −0.20511 (19) 0.39479 (17) 0.0169 (4)
C5 0.83034 (16) −0.07952 (19) 0.33369 (17) 0.0169 (4)
C16 0.24129 (16) −0.07563 (19) 0.67302 (16) 0.0164 (3)
C17 0.18961 (17) −0.2107 (2) 0.74985 (18) 0.0195 (4)
H17A 0.1041 −0.2097 0.8006 0.023*
C18 0.28721 (17) −0.3376 (2) 0.73457 (18) 0.0198 (4)
H18A 0.2843 −0.4437 0.7732 0.024*
C19 0.39727 (16) −0.28065 (19) 0.64781 (17) 0.0172 (4)
C20 0.51314 (16) −0.37959 (19) 0.60556 (17) 0.0185 (4)
H20A 0.5167 −0.4877 0.6396 0.022*
C51 0.98127 (17) −0.11283 (19) 0.28262 (17) 0.0177 (4)
C52 1.01657 (17) −0.1671 (2) 0.17315 (18) 0.0206 (4)
H52A 0.9421 −0.1859 0.1286 0.025*
C53 1.15769 (17) −0.1945 (2) 0.12745 (18) 0.0207 (4)
H53A 1.1792 −0.2316 0.0527 0.025*
C54 1.26742 (16) −0.16720 (19) 0.19238 (18) 0.0188 (4)
C55 1.23542 (17) −0.11454 (19) 0.30202 (17) 0.0192 (4)
H55A 1.3103 −0.0965 0.3467 0.023*
C56 1.09475 (17) −0.08822 (19) 0.34664 (18) 0.0192 (4)
H56A 1.0744 −0.0526 0.4224 0.023*
O1 1.41004 (11) −0.18754 (14) 0.15628 (12) 0.0226 (3)
C57 1.45008 (17) −0.2298 (2) 0.03660 (18) 0.0227 (4)
H57A 1.3832 −0.1524 −0.0488 0.027*
H57B 1.4430 −0.3366 0.0554 0.027*
C58 1.60744 (17) −0.2284 (2) 0.01421 (18) 0.0211 (4)
H58A 1.6702 −0.2943 0.1048 0.025*
H58B 1.6106 −0.1185 −0.0147 0.025*
C59 1.66924 (17) −0.2919 (2) −0.09922 (19) 0.0249 (4)
H59A 1.6492 −0.3934 −0.0788 0.030*
H59B 1.6167 −0.2157 −0.1927 0.030*
C510 1.83383 (17) −0.3191 (2) −0.10777 (18) 0.0217 (4)
H51A 1.8868 −0.3995 −0.0159 0.026*
H51B 1.8546 −0.2190 −0.1236 0.026*
C511 1.89275 (18) −0.3744 (2) −0.22522 (19) 0.0277 (4)
H51C 2.0009 −0.4029 −0.2182 0.042*
H51D 1.8518 −0.2889 −0.3175 0.042*
H51E 1.8637 −0.4673 −0.2159 0.042*