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. 2013 Jan 12;69(Pt 2):o224. doi: 10.1107/S1600536813000500
x y z Uiso*/Ueq
C2 0.18856 (17) −0.04107 (16) 0.05238 (10) 0.0416 (3)
C8 0.27051 (18) 0.29435 (17) 0.10755 (11) 0.0439 (3)
C1 0.12960 (17) 0.00751 (16) 0.15015 (10) 0.0409 (3)
C16 0.25132 (19) −0.00447 (18) 0.38809 (12) 0.0475 (3)
N1 0.32779 (16) 0.24918 (14) 0.01345 (9) 0.0477 (3)
C14 0.02296 (18) −0.12607 (17) 0.21649 (11) 0.0455 (3)
H14 −0.0906 −0.2111 0.1815 0.055*
O4 −0.19557 (15) −0.38893 (13) 0.31911 (9) 0.0630 (3)
C13 0.16978 (17) 0.17719 (16) 0.17992 (10) 0.0412 (3)
C12 0.11370 (19) 0.24024 (18) 0.27615 (11) 0.0484 (3)
H12 0.0464 0.1665 0.3236 0.058*
C11 0.1572 (2) 0.4058 (2) 0.29913 (12) 0.0544 (4)
H11 0.1202 0.4443 0.3625 0.065*
C6 0.3548 (2) 0.0411 (2) −0.11100 (12) 0.0549 (4)
H6 0.4194 0.1228 −0.1546 0.066*
C9 0.3139 (2) 0.46746 (18) 0.13512 (13) 0.0538 (4)
H9 0.3808 0.5443 0.0892 0.065*
O2 0.22592 (15) 0.05138 (14) 0.48843 (9) 0.0593 (3)
O1 0.39648 (15) 0.04600 (18) 0.35414 (10) 0.0745 (4)
O3 0.02856 (18) −0.31220 (15) 0.46082 (10) 0.0716 (4)
C7 0.28933 (18) 0.08723 (17) −0.01311 (11) 0.0445 (3)
C18 −0.0314 (2) −0.28576 (17) 0.37642 (11) 0.0488 (3)
C5 0.3247 (2) −0.1193 (2) −0.14145 (14) 0.0618 (4)
H5 0.3696 −0.1466 −0.2051 0.074*
C3 0.1592 (2) −0.20857 (18) 0.01646 (12) 0.0508 (3)
H3 0.0939 −0.2935 0.0577 0.061*
C15 0.07425 (18) −0.13590 (17) 0.32134 (11) 0.0452 (3)
C10 0.2585 (2) 0.52130 (19) 0.22792 (13) 0.0578 (4)
H10 0.2871 0.6345 0.2449 0.069*
C4 0.2252 (2) −0.2462 (2) −0.07701 (14) 0.0588 (4)
H4 0.2048 −0.3563 −0.0989 0.071*
C19 −0.3052 (3) −0.5404 (2) 0.36533 (18) 0.0765 (5)
H19A −0.4202 −0.6062 0.3179 0.115*
H19B −0.3267 −0.5095 0.4398 0.115*
H19C −0.2415 −0.6059 0.3690 0.115*
C17 0.3884 (3) 0.1685 (3) 0.56385 (16) 0.0767 (5)
H17A 0.3545 0.2006 0.6338 0.115*
H17B 0.4557 0.2672 0.5302 0.115*
H17C 0.4634 0.1156 0.5779 0.115*