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. 2012 Oct 27;68(Pt 11):o3231–o3232. doi: 10.1107/S1600536812044030
x y z Uiso*/Ueq
O1A 0.12216 (11) 0.67251 (7) 0.39057 (4) 0.0511 (3)
O2A 0.13223 (13) 0.56857 (9) 0.34041 (5) 0.0657 (4)
N1A −0.03742 (11) 0.60902 (8) 0.44686 (5) 0.0390 (3)
C1A −0.11347 (13) 0.57558 (9) 0.47931 (6) 0.0396 (4)
C2A −0.14961 (14) 0.61816 (10) 0.52172 (6) 0.0450 (4)
H2A −0.1244 0.6688 0.5259 0.054*
C3A −0.22121 (15) 0.58568 (11) 0.55662 (7) 0.0525 (4)
H3A −0.2437 0.6142 0.5845 0.063*
C4A −0.26120 (16) 0.50963 (12) 0.55081 (8) 0.0578 (5)
H4A −0.3097 0.4880 0.5749 0.069*
C5A −0.22915 (15) 0.46757 (11) 0.51017 (8) 0.0569 (5)
H5A −0.2561 0.4172 0.5067 0.068*
C6A −0.15524 (14) 0.49894 (9) 0.47282 (7) 0.0464 (4)
C7A −0.11881 (16) 0.45862 (10) 0.43001 (8) 0.0537 (5)
H7A −0.1462 0.4090 0.4238 0.064*
C8A −0.04317 (17) 0.49246 (10) 0.39768 (7) 0.0526 (5)
H8A −0.0185 0.4664 0.3691 0.063*
C9A −0.00251 (14) 0.56800 (9) 0.40816 (6) 0.0422 (4)
C10A 0.08924 (16) 0.60161 (10) 0.37521 (6) 0.0455 (4)
C11A 0.21459 (15) 0.70870 (10) 0.36529 (6) 0.0447 (4)
C12A 0.32213 (17) 0.70819 (12) 0.38707 (7) 0.0555 (5)
H12A 0.3348 0.6815 0.4168 0.067*
C13A 0.41123 (16) 0.74779 (11) 0.36423 (7) 0.0534 (4)
H13A 0.4842 0.7475 0.3790 0.064*
C14A 0.39551 (15) 0.78789 (10) 0.32009 (6) 0.0452 (4)
C15A 0.28520 (17) 0.78769 (12) 0.29953 (7) 0.0553 (5)
H15A 0.2719 0.8147 0.2699 0.066*
C16A 0.19469 (16) 0.74867 (12) 0.32171 (7) 0.0535 (5)
H16A 0.1212 0.7494 0.3074 0.064*
C17A 0.49506 (18) 0.82914 (13) 0.29514 (7) 0.0600 (5)
H17D 0.5132 0.8040 0.2640 0.090*
H17E 0.5616 0.8278 0.3167 0.090*
H17F 0.4738 0.8818 0.2888 0.090*
O1B 0.66824 (11) 0.35457 (6) 0.36695 (4) 0.0466 (3)
O2B 0.60648 (11) 0.25607 (7) 0.31907 (5) 0.0540 (3)
N1B 0.78323 (10) 0.26045 (7) 0.42615 (4) 0.0322 (3)
C1B 0.85486 (12) 0.21554 (8) 0.45442 (5) 0.0309 (3)
C2B 0.90207 (13) 0.24698 (9) 0.49877 (6) 0.0365 (3)
H2B 0.8820 0.2968 0.5085 0.044*
C3B 0.97676 (14) 0.20498 (9) 0.52742 (6) 0.0396 (3)
H3B 1.0079 0.2265 0.5564 0.048*
C4B 1.00717 (14) 0.12907 (9) 0.51339 (6) 0.0409 (4)
H4B 1.0576 0.1007 0.5334 0.049*
C5B 0.96322 (14) 0.09699 (9) 0.47076 (6) 0.0392 (4)
H5B 0.9842 0.0470 0.4618 0.047*
C6B 0.88617 (13) 0.13903 (8) 0.44012 (5) 0.0330 (3)
C7B 0.83864 (14) 0.11000 (9) 0.39521 (6) 0.0385 (3)
H7B 0.8567 0.0603 0.3846 0.046*
C8B 0.76635 (14) 0.15486 (9) 0.36753 (6) 0.0385 (3)
H8B 0.7338 0.1363 0.3380 0.046*
C9B 0.74165 (12) 0.23042 (8) 0.38463 (5) 0.0332 (3)
C10B 0.66380 (13) 0.27980 (9) 0.35296 (5) 0.0362 (3)
C11B 0.60426 (15) 0.40810 (9) 0.33826 (6) 0.0396 (4)
C12B 0.48842 (16) 0.41864 (10) 0.34708 (6) 0.0481 (4)
H12B 0.4496 0.3877 0.3701 0.058*
C13B 0.42981 (16) 0.47621 (11) 0.32107 (6) 0.0488 (4)
H13B 0.3511 0.4835 0.3269 0.059*
C14B 0.48616 (15) 0.52276 (9) 0.28679 (6) 0.0428 (4)
C15B 0.60316 (15) 0.51005 (10) 0.27840 (6) 0.0428 (4)
H15B 0.6422 0.5403 0.2551 0.051*
C16B 0.66314 (15) 0.45307 (9) 0.30413 (6) 0.0416 (4)
H16B 0.7418 0.4454 0.2984 0.050*
C17B 0.42202 (19) 0.58559 (11) 0.25908 (8) 0.0597 (5)
H17A 0.4712 0.6300 0.2558 0.089*
H17B 0.3536 0.5994 0.2775 0.089*
H17C 0.4005 0.5673 0.2264 0.089*