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. 2008 Jun 21;64(Pt 7):o1326. doi: 10.1107/S1600536808015948
x y z Uiso*/Ueq
O1 0.27634 (19) 0.9193 (4) −0.12266 (14) 0.0590 (6)
O2 0.23745 (17) 0.8957 (3) 0.00217 (13) 0.0497 (5)
O3 0.31938 (17) 0.6230 (4) −0.03469 (13) 0.0505 (6)
O4 0.21313 (18) 0.4121 (5) −0.18601 (15) 0.0656 (6)
O5 0.53866 (19) 0.6359 (5) −0.02062 (18) 0.0748 (8)
N1 0.36798 (19) 0.5329 (4) −0.09240 (16) 0.0455 (6)
C1 0.2760 (2) 0.8299 (5) −0.0593 (2) 0.0444 (7)
C2 0.1931 (3) 1.1212 (6) −0.0092 (2) 0.0608 (9)
H2A 0.1403 1.1337 −0.0637 0.073*
H2B 0.2500 1.2278 −0.0070 0.073*
C3 0.1417 (2) 1.1683 (6) 0.05872 (19) 0.0472 (8)
C4 0.1608 (3) 1.3686 (7) 0.1003 (2) 0.0679 (10)
H4A 0.2106 1.4682 0.0900 0.081*
C5 0.1038 (4) 1.4196 (9) 0.1584 (3) 0.0840 (13)
H5A 0.1137 1.5575 0.1849 0.101*
C6 0.0353 (4) 1.2742 (11) 0.1766 (3) 0.0891 (15)
H6A 0.0001 1.3084 0.2170 0.107*
C7 0.0174 (4) 1.0773 (10) 0.1359 (3) 0.0933 (15)
H7A −0.0321 0.9779 0.1467 0.112*
C8 0.0722 (3) 1.0237 (8) 0.0785 (2) 0.0661 (10)
H8A 0.0613 0.8850 0.0526 0.079*
C9 0.3091 (2) 0.4209 (5) −0.16335 (19) 0.0461 (7)
C10 0.3907 (3) 0.3163 (6) −0.1998 (2) 0.0565 (9)
H10A 0.3761 0.3525 −0.2591 0.068*
H10B 0.3903 0.1560 −0.1938 0.068*
C11 0.4985 (3) 0.4128 (7) −0.1500 (2) 0.0623 (9)
H11A 0.5500 0.2946 −0.1289 0.075*
H11B 0.5271 0.5101 −0.1853 0.075*
C12 0.4779 (3) 0.5406 (6) −0.0785 (2) 0.0553 (9)
O1A 0.6443 (2) 0.2514 (6) 0.29926 (19) 0.0827 (9)
O2A 0.77413 (16) 0.4716 (5) 0.37734 (14) 0.0616 (7)
O3A 0.62034 (17) 0.4715 (5) 0.40198 (16) 0.0689 (7)
O4A 0.4335 (3) 0.6375 (7) 0.2938 (3) 0.1198 (14)
O5A 0.5736 (2) 0.0935 (7) 0.4792 (2) 0.1059 (12)
N1A 0.5208 (2) 0.3728 (6) 0.3867 (2) 0.0622 (8)
C1A 0.6797 (3) 0.3790 (7) 0.3534 (2) 0.0550 (8)
C2A 0.8508 (3) 0.3870 (10) 0.3332 (3) 0.0911 (16)
H2AA 0.8264 0.4263 0.2740 0.109*
H2AB 0.8552 0.2262 0.3375 0.109*
C3A 0.9578 (2) 0.4857 (7) 0.3717 (2) 0.0557 (9)
C4A 1.0340 (3) 0.3744 (8) 0.4333 (2) 0.0709 (11)
H4AA 1.0177 0.2372 0.4527 0.085*
C5A 1.1365 (3) 0.4690 (11) 0.4670 (3) 0.0887 (16)
H5AA 1.1874 0.3968 0.5099 0.106*
C6A 1.1608 (3) 0.6646 (11) 0.4368 (3) 0.0895 (15)
H6AA 1.2292 0.7252 0.4578 0.107*
C7A 1.0853 (4) 0.7737 (9) 0.3755 (3) 0.0862 (13)
H7AA 1.1020 0.9096 0.3555 0.103*
C8A 0.9857 (3) 0.6845 (8) 0.3435 (3) 0.0706 (11)
H8AA 0.9353 0.7605 0.3015 0.085*
C9A 0.4312 (3) 0.4689 (9) 0.3325 (3) 0.0754 (12)
C10A 0.3393 (3) 0.3194 (10) 0.3337 (3) 0.0832 (14)
H10C 0.3091 0.2524 0.2788 0.100*
H10D 0.2831 0.4018 0.3490 0.100*
C11A 0.3865 (3) 0.1416 (8) 0.3994 (3) 0.0777 (12)
H11C 0.3544 0.1502 0.4458 0.093*
H11D 0.3736 −0.0056 0.3747 0.093*
C12A 0.5045 (3) 0.1884 (8) 0.4293 (3) 0.0673 (11)