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. 2011 Jan 15;67(Pt 2):o403–o404. doi: 10.1107/S1600536811001589
x y z Uiso*/Ueq Occ. (<1)
O1A 0.59450 (13) 0.07629 (9) 0.94578 (11) 0.0314 (3)
N1A 0.29084 (17) 0.16378 (11) 0.92423 (13) 0.0288 (4)
N2A 0.38633 (15) 0.09048 (11) 0.94491 (12) 0.0271 (4)
C1A 0.32664 (18) 0.24453 (13) 0.88567 (14) 0.0246 (4)
C2A 0.48806 (18) 0.12736 (13) 0.92718 (14) 0.0244 (4)
C3A 0.44982 (17) 0.22608 (12) 0.88657 (14) 0.0239 (4)
C4A 0.53044 (18) 0.29233 (13) 0.85342 (16) 0.0298 (4)
C5A 0.6668 (2) 0.30005 (15) 0.90864 (18) 0.0396 (5)
H5AA 0.7066 0.2645 0.9671 0.047*
C6A 0.7438 (2) 0.36080 (18) 0.8767 (3) 0.0602 (8)
H6AA 0.8348 0.3652 0.9137 0.072*
C7A 0.6861 (3) 0.41400 (18) 0.7910 (3) 0.0685 (10)
H7AA 0.7379 0.4549 0.7704 0.082*
C8A 0.5513 (3) 0.40705 (19) 0.7351 (2) 0.0604 (8)
H8AA 0.5124 0.4430 0.6768 0.072*
C9A 0.4736 (2) 0.34624 (16) 0.76586 (18) 0.0401 (5)
H9AA 0.3829 0.3415 0.7278 0.048*
C10A 0.23852 (19) 0.33569 (14) 0.85216 (16) 0.0306 (4)
H10C 0.1769 0.3258 0.7845 0.037*
H10D 0.2927 0.3942 0.8546 0.037*
C11A 0.1600 (2) 0.35798 (17) 0.91215 (19) 0.0450 (6)
H11D 0.1092 0.4187 0.8884 0.068*
H11E 0.2199 0.3668 0.9795 0.068*
H11F 0.1013 0.3025 0.9064 0.068*
O1B 1.07863 (12) 0.06616 (9) 0.92558 (9) 0.0254 (3)
N1B 0.73764 (15) 0.06391 (11) 0.83821 (12) 0.0275 (4)
N2B 0.86312 (14) 0.04445 (11) 0.90754 (12) 0.0228 (3)
C1B 0.74826 (19) 0.11417 (14) 0.76342 (15) 0.0303 (4)
C2B 0.95360 (17) 0.07674 (12) 0.87492 (13) 0.0215 (4)
C3B 0.88097 (18) 0.12138 (13) 0.78120 (14) 0.0251 (4)
C4B 0.9388 (2) 0.16679 (13) 0.71837 (14) 0.0291 (4)
C5B 1.0386 (2) 0.11721 (15) 0.70194 (16) 0.0361 (5)
H5BA 1.0694 0.0549 0.7315 0.043*
C6B 1.0928 (3) 0.15955 (16) 0.64204 (18) 0.0505 (7)
H6BA 1.1588 0.1253 0.6312 0.061*
C7B 1.0483 (3) 0.25308 (17) 0.59830 (17) 0.0541 (7)
H7BA 1.0840 0.2814 0.5579 0.065*
C8B 0.9506 (3) 0.30381 (16) 0.61513 (16) 0.0459 (6)
H8BA 0.9209 0.3665 0.5862 0.055*
C9B 0.8973 (2) 0.26163 (15) 0.67475 (15) 0.0360 (5)
H9BA 0.8326 0.2969 0.6862 0.043*
C10B 0.6280 (2) 0.14952 (18) 0.67717 (18) 0.0499 (6)
H10A 0.5568 0.1581 0.6980 0.060* 0.508 (5)
H10B 0.6473 0.2157 0.6583 0.060* 0.508 (5)
H10E 0.6172 0.2209 0.6868 0.060* 0.492 (5)
H10F 0.6477 0.1442 0.6202 0.060* 0.492 (5)
C11B 0.5811 (4) 0.0874 (3) 0.5935 (3) 0.0427 (13) 0.508 (5)
H11A 0.5027 0.1168 0.5442 0.064* 0.508 (5)
H11B 0.5608 0.0215 0.6104 0.064* 0.508 (5)
H11C 0.6481 0.0816 0.5689 0.064* 0.508 (5)
C11C 0.5046 (3) 0.1031 (3) 0.6533 (4) 0.0395 (13) 0.492 (5)
H11G 0.4387 0.1358 0.5970 0.059* 0.492 (5)
H11H 0.4805 0.1090 0.7075 0.059* 0.492 (5)
H11I 0.5101 0.0329 0.6390 0.059* 0.492 (5)
H1NB 0.669 (2) 0.0719 (16) 0.8648 (17) 0.043 (6)*
H2NB 0.881 (2) 0.0033 (18) 0.9694 (18) 0.053 (7)*
H2NA 0.384 (2) 0.029 (2) 0.9802 (19) 0.060 (8)*
H1NA 0.204 (3) 0.1404 (18) 0.9184 (19) 0.052 (7)*