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. 2009 Jun 10;65(Pt 7):o1541–o1542. doi: 10.1107/S160053680902131X
x y z Uiso*/Ueq
O1A 0.40917 (16) 0.60365 (5) 0.14873 (4) 0.0254 (2)
O2A 0.40976 (16) 0.67847 (5) −0.02578 (4) 0.0247 (2)
O3A 0.40376 (15) 0.79917 (5) 0.00793 (4) 0.0184 (2)
N1A 0.40541 (17) 0.74634 (6) 0.17034 (4) 0.0154 (2)
N2A 0.40625 (16) 0.75908 (6) 0.11429 (4) 0.0148 (2)
C1A 0.4144 (2) 0.77921 (8) 0.27072 (5) 0.0181 (3)
C2A 0.4216 (2) 0.83300 (8) 0.31550 (6) 0.0225 (3)
H2AA 0.4252 0.8166 0.3541 0.027*
C3A 0.4235 (2) 0.91073 (8) 0.30312 (6) 0.0236 (3)
H3AA 0.4306 0.9463 0.3333 0.028*
C4A 0.4149 (2) 0.93537 (8) 0.24572 (6) 0.0200 (3)
H4AA 0.4145 0.9878 0.2381 0.024*
C5A 0.40668 (19) 0.88417 (8) 0.19881 (5) 0.0160 (3)
C6A 0.40846 (19) 0.80554 (8) 0.21245 (5) 0.0154 (3)
C7A 0.4061 (2) 0.70016 (7) 0.07753 (5) 0.0150 (3)
C8A 0.4068 (2) 0.61935 (8) 0.09568 (6) 0.0182 (3)
C9A 0.4072 (2) 0.55506 (8) 0.05250 (6) 0.0255 (3)
H9AA 0.4085 0.5069 0.0729 0.038*
H9AB 0.5218 0.5588 0.0288 0.038*
H9AC 0.2915 0.5582 0.0281 0.038*
C10A 0.4071 (2) 0.72277 (8) 0.01496 (5) 0.0155 (3)
C11A 0.4007 (2) 0.82543 (8) −0.05216 (5) 0.0175 (3)
H11A 0.2858 0.8056 −0.0727 0.021*
H11B 0.5172 0.8080 −0.0721 0.021*
C12A 0.3949 (2) 0.91184 (8) −0.05037 (6) 0.0216 (3)
H12A 0.3835 0.9315 −0.0894 0.032*
H12B 0.5136 0.9308 −0.0323 0.032*
H12C 0.2840 0.9283 −0.0282 0.032*
C13A 0.4136 (2) 0.69449 (8) 0.28431 (6) 0.0241 (3)
H13A 0.4161 0.6872 0.3258 0.036*
H13B 0.5272 0.6708 0.2678 0.036*
H13C 0.2969 0.6715 0.2680 0.036*
C14A 0.3951 (2) 0.91598 (8) 0.13753 (6) 0.0201 (3)
H14A 0.3896 0.9710 0.1391 0.030*
H14B 0.2792 0.8968 0.1181 0.030*
H14C 0.5092 0.9004 0.1165 0.030*
O1B 0.09517 (17) 0.08911 (5) 0.43092 (4) 0.0262 (2)
O2B 0.09218 (17) 0.21913 (6) 0.27668 (4) 0.0263 (2)
O3B 0.08746 (15) 0.32485 (5) 0.33244 (4) 0.0189 (2)
N1B 0.09558 (17) 0.22067 (7) 0.47965 (4) 0.0153 (2)
N2B 0.09259 (16) 0.25040 (6) 0.42748 (4) 0.0147 (2)
C1B 0.0930 (2) 0.22404 (8) 0.58338 (5) 0.0179 (3)
C2B 0.0920 (2) 0.26448 (8) 0.63570 (6) 0.0209 (3)
H2BA 0.0895 0.2377 0.6708 0.025*
C3B 0.0948 (2) 0.34375 (8) 0.63647 (6) 0.0214 (3)
H3BA 0.0938 0.3700 0.6718 0.026*
C4B 0.0992 (2) 0.38391 (8) 0.58425 (6) 0.0180 (3)
H4BA 0.1014 0.4372 0.5853 0.022*
C5B 0.10050 (19) 0.34683 (7) 0.53016 (5) 0.0151 (3)
C6B 0.09607 (19) 0.26601 (7) 0.53072 (5) 0.0144 (3)
C7B 0.0909 (2) 0.20567 (7) 0.38054 (5) 0.0153 (3)
C8B 0.0895 (2) 0.12139 (8) 0.38275 (6) 0.0183 (3)
C9B 0.0792 (2) 0.07339 (8) 0.32851 (6) 0.0256 (3)
H9BA 0.0734 0.0201 0.3390 0.038*
H9BB 0.1938 0.0825 0.3056 0.038*
H9BC −0.0362 0.0868 0.3062 0.038*
C10B 0.0897 (2) 0.24863 (8) 0.32454 (5) 0.0166 (3)
C11B 0.0923 (2) 0.37110 (8) 0.27969 (5) 0.0186 (3)
H11C −0.0236 0.3615 0.2556 0.022*
H11D 0.2077 0.3589 0.2573 0.022*
C12B 0.0979 (2) 0.45359 (8) 0.29895 (6) 0.0229 (3)
H12D 0.1118 0.4862 0.2655 0.034*
H12E 0.2073 0.4613 0.3252 0.034*
H12F −0.0219 0.4660 0.3184 0.034*
C13B 0.0906 (2) 0.13761 (8) 0.58360 (6) 0.0260 (3)
H13D 0.0922 0.1194 0.6231 0.039*
H13E 0.2042 0.1187 0.5639 0.039*
H13F −0.0261 0.1197 0.5639 0.039*
C14B 0.1078 (2) 0.39513 (8) 0.47569 (6) 0.0192 (3)
H14D 0.1133 0.4484 0.4862 0.029*
H14E −0.0076 0.3858 0.4522 0.029*
H14F 0.2225 0.3820 0.4540 0.029*
H1NA 0.403 (3) 0.6967 (11) 0.1816 (7) 0.037 (5)*
H1NB 0.099 (3) 0.1685 (12) 0.4821 (8) 0.048 (6)*