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. 2013 Apr 17;69(Pt 5):o738. doi: 10.1107/S1600536813009781
x y z Uiso*/Ueq
O1A −0.1230 (3) 0.69501 (19) 0.1817 (4) 0.0616 (8)
H1A −0.1628 0.7033 0.0974 0.092*
O2A 0.2475 (3) 0.42236 (17) 0.4097 (3) 0.0612 (8)
N1A 0.1573 (2) 0.39940 (16) 0.1817 (3) 0.0404 (6)
H1AA 0.1024 0.4109 0.0992 0.048*
C1A 0.0968 (3) 0.5501 (2) 0.3666 (4) 0.0471 (8)
H1AB 0.1499 0.5376 0.4589 0.056*
C2A 0.0254 (4) 0.6130 (3) 0.3400 (4) 0.0504 (9)
H2A 0.0306 0.6425 0.4141 0.060*
C3A −0.0548 (3) 0.6331 (2) 0.2026 (4) 0.0452 (8)
C4A −0.0623 (3) 0.5876 (2) 0.0918 (4) 0.0468 (8)
H4A −0.1158 0.6002 −0.0004 0.056*
C5A 0.0102 (3) 0.5240 (2) 0.1201 (4) 0.0439 (8)
H5A 0.0048 0.4938 0.0467 0.053*
C6A 0.0917 (3) 0.5048 (2) 0.2590 (3) 0.0402 (7)
C7A 0.1730 (3) 0.4393 (2) 0.2940 (4) 0.0431 (8)
C8A 0.2365 (5) 0.3355 (3) 0.2037 (6) 0.0549 (9)
H8AA 0.2520 0.3063 0.2861 0.082*
H8AB 0.3062 0.3570 0.2156 0.082*
H8AC 0.2034 0.3010 0.1239 0.082*
O1B 1.1116 (3) 0.8638 (2) 0.7338 (3) 0.0617 (9)
H1B 1.1397 0.8800 0.8145 0.093*
O2B 0.7422 (3) 0.58944 (17) 0.5125 (3) 0.0576 (8)
N1B 0.8321 (3) 0.56916 (17) 0.7436 (3) 0.0406 (7)
H1BA 0.8845 0.5830 0.8261 0.049*
C1B 0.9770 (3) 0.6941 (2) 0.7987 (4) 0.0455 (8)
H1BB 0.9815 0.6651 0.8729 0.055*
C2B 1.0491 (3) 0.7578 (2) 0.8255 (4) 0.0464 (9)
H2B 1.1014 0.7717 0.9175 0.056*
C3B 1.0433 (3) 0.8006 (2) 0.7158 (4) 0.0466 (9)
C4B 0.9661 (4) 0.7791 (3) 0.5779 (5) 0.0540 (10)
H4B 0.9628 0.8074 0.5038 0.065*
C5B 0.8946 (3) 0.7156 (2) 0.5518 (4) 0.0486 (9)
H5B 0.8434 0.7010 0.4598 0.058*
C6B 0.8987 (3) 0.6735 (2) 0.6626 (4) 0.0422 (8)
C7B 0.8164 (3) 0.6074 (2) 0.6300 (4) 0.0437 (9)
C8B 0.7582 (4) 0.5039 (2) 0.7230 (5) 0.0562 (11)
H8BA 0.7827 0.4587 0.6927 0.084*
H8BB 0.6817 0.5173 0.6530 0.084*
H8BC 0.7606 0.4919 0.8096 0.084*
O1C 0.3742 (3) 0.4691 (2) 0.6850 (4) 0.0665 (9)
H1C 0.3295 0.4643 0.6007 0.100*
O2C 0.7454 (3) 0.74129 (17) 0.9069 (3) 0.0630 (8)
N1C 0.6574 (3) 0.76016 (17) 0.6775 (3) 0.0433 (7)
H1CA 0.6057 0.7459 0.5949 0.052*
C1C 0.5934 (4) 0.6151 (3) 0.8683 (4) 0.0532 (9)
H1CB 0.6448 0.6298 0.9601 0.064*
C2C 0.5220 (4) 0.5522 (3) 0.8445 (4) 0.0558 (10)
H2C 0.5255 0.5244 0.9193 0.067*
C3C 0.4443 (3) 0.5305 (2) 0.7068 (4) 0.0484 (9)
C4C 0.4387 (4) 0.5731 (2) 0.5946 (4) 0.0522 (9)
H4C 0.3865 0.5590 0.5027 0.063*
C5C 0.5114 (4) 0.6359 (2) 0.6212 (4) 0.0491 (9)
H5C 0.5075 0.6644 0.5469 0.059*
C6C 0.5906 (3) 0.6570 (2) 0.7589 (4) 0.0434 (8)
C7C 0.6724 (3) 0.7228 (2) 0.7924 (4) 0.0463 (8)
C8C 0.7327 (5) 0.8257 (2) 0.6993 (6) 0.0567 (10)
H8CA 0.7403 0.8575 0.7756 0.085*
H8CB 0.7016 0.8571 0.6156 0.085*
H8CC 0.8061 0.8061 0.7211 0.085*