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. 2015 Feb 13;71(Pt 3):o184–o185. doi: 10.1107/S2056989015002959
x y z Uiso*/Ueq
O1 0.4190 (2) 0.35039 (7) 0.24633 (19) 0.0692 (8)
O2 0.46467 (19) 0.36965 (7) 0.52700 (19) 0.0693 (8)
O3 0.0898 (2) 0.45145 (8) 0.3595 (3) 0.1045 (10)
O4 0.4750 (3) 0.12563 (9) 0.3656 (3) 0.1069 (11)
N1 0.2807 (2) 0.30426 (7) 0.3470 (2) 0.0543 (8)
N2 0.2815 (2) 0.41138 (7) 0.4404 (2) 0.0572 (8)
C1 0.3327 (3) 0.34368 (9) 0.3064 (3) 0.0563 (9)
C2 0.2321 (3) 0.37334 (9) 0.3612 (3) 0.0554 (9)
C3 0.1920 (2) 0.32787 (9) 0.4197 (3) 0.0526 (9)
C4 0.4052 (3) 0.40621 (10) 0.5227 (3) 0.0588 (10)
C5 0.4560 (3) 0.44602 (11) 0.5995 (3) 0.0728 (6)
C6 0.5807 (3) 0.44420 (11) 0.6764 (3) 0.0728 (6)
C7 0.6296 (4) 0.48285 (15) 0.7508 (4) 0.0961 (17)
C8 0.5545 (5) 0.52161 (15) 0.7453 (4) 0.0965 (17)
C9 0.4259 (4) 0.52484 (12) 0.6675 (3) 0.0839 (14)
C10 0.3769 (3) 0.48620 (11) 0.5934 (3) 0.0728 (6)
C11 0.2496 (3) 0.48927 (11) 0.5132 (3) 0.0728 (6)
C12 0.1705 (4) 0.52855 (12) 0.5103 (5) 0.1133 (13)
C13 0.2184 (4) 0.56608 (13) 0.5837 (5) 0.1133 (13)
C14 0.3441 (5) 0.56448 (13) 0.6599 (4) 0.1056 (18)
C15 0.1979 (3) 0.45068 (10) 0.4311 (3) 0.0724 (13)
C16 0.0415 (2) 0.31708 (8) 0.4028 (2) 0.0495 (9)
C17 −0.0176 (3) 0.31832 (10) 0.5074 (3) 0.0564 (9)
C18 0.0568 (3) 0.32229 (14) 0.6311 (3) 0.0874 (13)
C19 −0.0069 (4) 0.3238 (2) 0.7281 (4) 0.1318 (16)
C20 −0.1489 (4) 0.3223 (2) 0.7123 (4) 0.1318 (16)
C21 −0.2248 (3) 0.31779 (16) 0.5989 (4) 0.0983 (18)
C22 −0.1647 (3) 0.31528 (10) 0.4932 (3) 0.0639 (11)
C23 −0.2446 (3) 0.31168 (10) 0.3770 (3) 0.0657 (11)
C24 −0.1887 (3) 0.30945 (10) 0.2726 (3) 0.0591 (10)
C25 −0.2736 (3) 0.30603 (14) 0.1548 (3) 0.0866 (13)
C26 −0.2207 (4) 0.30221 (16) 0.0529 (4) 0.1054 (18)
C27 −0.0786 (4) 0.30242 (15) 0.0617 (3) 0.0986 (16)
C28 0.0072 (3) 0.30741 (13) 0.1722 (3) 0.0786 (13)
C29 −0.0427 (3) 0.31138 (9) 0.2845 (3) 0.0562 (10)
C30 0.3253 (2) 0.25829 (9) 0.3516 (2) 0.0479 (8)
C31 0.2942 (3) 0.22912 (10) 0.4384 (3) 0.0611 (10)
C32 0.3417 (3) 0.18386 (11) 0.4453 (3) 0.0708 (11)
C33 0.4222 (3) 0.16891 (11) 0.3658 (3) 0.0694 (11)
C34 0.4512 (3) 0.19801 (11) 0.2776 (3) 0.0669 (11)
C35 0.4034 (3) 0.24258 (10) 0.2700 (3) 0.0589 (10)
C36 0.4632 (7) 0.09623 (15) 0.4623 (5) 0.140 (3)
H2 0.15700 0.38340 0.29570 0.0660*
H3 0.23420 0.32690 0.50740 0.0630*
H6 0.63360 0.41780 0.68020 0.0870*
H7 0.71420 0.48140 0.80390 0.1150*
H8 0.58870 0.54660 0.79400 0.1160*
H12 0.08480 0.52980 0.45890 0.1360*
H13 0.16490 0.59230 0.58100 0.1360*
H14 0.37590 0.59000 0.70750 0.1270*
H18 0.15160 0.32390 0.64540 0.1050*
H19 0.04530 0.32580 0.80730 0.1580*
H20 −0.19060 0.32450 0.78010 0.1580*
H21 −0.31930 0.31630 0.58930 0.1180*
H23 −0.33910 0.31070 0.36870 0.0790*
H25 −0.36790 0.30640 0.14770 0.1040*
H26 −0.27820 0.29940 −0.02370 0.1270*
H27 −0.04280 0.29910 −0.00920 0.1180*
H28 0.10090 0.30830 0.17520 0.0940*
H31 0.24110 0.23940 0.49320 0.0730*
H32 0.31880 0.16390 0.50360 0.0850*
H34 0.50360 0.18770 0.22240 0.0800*
H35 0.42380 0.26210 0.20970 0.0710*
H36A 0.50430 0.06720 0.45060 0.2110*
H36B 0.50860 0.10950 0.53880 0.2110*
H36C 0.36840 0.09170 0.46410 0.2110*