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. 2012 Mar 3;68(Pt 4):o932. doi: 10.1107/S1600536812008124
x y z Uiso*/Ueq
C1 0.0179 (5) 0.9147 (5) 0.3451 (3) 0.0587 (11)
H1A −0.0058 0.9988 0.3201 0.070*
C2 −0.0704 (6) 0.7737 (5) 0.2941 (3) 0.0718 (14)
H2A −0.1543 0.7635 0.2345 0.086*
C3 −0.0341 (7) 0.6488 (5) 0.3318 (4) 0.0767 (14)
H3A −0.0935 0.5557 0.2967 0.092*
C4 0.0888 (6) 0.6601 (5) 0.4206 (4) 0.0694 (13)
H4A 0.1116 0.5755 0.4452 0.083*
C4A 0.1776 (5) 0.7992 (5) 0.4723 (3) 0.0538 (11)
C4B 0.3151 (5) 0.8434 (5) 0.5651 (3) 0.0521 (11)
C5 0.3937 (6) 0.7596 (5) 0.6298 (4) 0.0643 (12)
H5A 0.3570 0.6567 0.6188 0.077*
C6 0.5283 (6) 0.8334 (6) 0.7112 (4) 0.0721 (14)
H6A 0.5844 0.7783 0.7541 0.087*
C7 0.5818 (6) 0.9857 (6) 0.7309 (3) 0.0676 (13)
H7A 0.6712 1.0319 0.7869 0.081*
C8 0.5017 (5) 1.0703 (5) 0.6668 (3) 0.0589 (11)
H8A 0.5372 1.1732 0.6799 0.071*
C8A 0.3686 (5) 1.0006 (5) 0.5833 (3) 0.0495 (10)
C9 0.2619 (5) 1.0585 (5) 0.5019 (3) 0.0448 (10)
C9A 0.1426 (5) 0.9265 (4) 0.4344 (3) 0.0485 (10)
C10 0.2732 (5) 1.2023 (5) 0.4915 (3) 0.0489 (10)
C11 0.1603 (6) 1.2507 (4) 0.4121 (3) 0.0545 (11)
N12 0.0739 (5) 1.2952 (4) 0.3509 (3) 0.0719 (11)
C13 0.3997 (6) 1.3228 (5) 0.5590 (3) 0.0577 (12)
N14 0.5000 (5) 1.4216 (4) 0.6109 (3) 0.0782 (12)
S15 0.28023 (18) 0.60731 (16) −0.03391 (10) 0.0884 (5)
C16 0.1970 (7) 0.6242 (6) 0.0666 (4) 0.0943 (17)
H16A 0.0993 0.6633 0.0638 0.113*
C17 0.2751 (7) 0.5805 (6) 0.1473 (4) 0.0866 (16)
H17A 0.2330 0.5867 0.2028 0.104*
S18 0.45887 (18) 0.51072 (15) 0.14801 (9) 0.0832 (5)
C19 0.4457 (5) 0.5248 (5) 0.0235 (3) 0.0636 (13)
S20 0.26100 (15) 1.13111 (14) 0.99343 (9) 0.0784 (4)
C21 0.3288 (6) 1.0451 (6) 0.9025 (3) 0.0742 (14)
H21A 0.4389 1.0845 0.8909 0.089*
C22 0.2207 (6) 0.9222 (5) 0.8498 (3) 0.0693 (13)
H22A 0.2525 0.8725 0.8001 0.083*
S23 0.01752 (15) 0.85519 (14) 0.87520 (8) 0.0661 (4)
C24 0.0573 (5) 0.9972 (4) 0.9734 (3) 0.0517 (11)