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. 2011 Aug 27;67(Pt 9):o2375. doi: 10.1107/S1600536811032922
x y z Uiso*/Ueq
N1E 0.0951 (2) 0.6583 (4) 0.01485 (10) 0.0507 (13)
C1E 0.1321 (3) 0.7651 (5) 0.03852 (14) 0.0500 (19)
C2E 0.2221 (3) 0.8086 (6) 0.03352 (15) 0.0610 (19)
C3E 0.2737 (3) 0.7498 (6) 0.00536 (15) 0.0580 (18)
C4E 0.2331 (3) 0.6421 (5) −0.01785 (14) 0.0553 (16)
C5E 0.1438 (3) 0.5961 (5) −0.01280 (13) 0.0497 (16)
C6E 0.0701 (3) 0.8265 (6) 0.06769 (13) 0.0703 (19)
C7E 0.3732 (3) 0.7980 (6) 0.00030 (18) 0.089 (3)
C8E 0.0923 (3) 0.4817 (6) −0.03699 (16) 0.071 (2)
N1F −0.1353 (2) 0.8367 (4) 0.22390 (10) 0.0447 (13)
C1F −0.0849 (3) 0.8986 (5) 0.25124 (13) 0.0483 (16)
C2F 0.0058 (3) 0.8497 (5) 0.25489 (13) 0.0560 (17)
C3F 0.0433 (3) 0.7401 (6) 0.23086 (16) 0.0597 (19)
C4F −0.0131 (3) 0.6816 (5) 0.20373 (14) 0.0567 (19)
C5F −0.1040 (3) 0.7304 (5) 0.20001 (15) 0.0487 (19)
C6F −0.1295 (3) 1.0153 (6) 0.27559 (17) 0.072 (2)
C7F 0.1435 (3) 0.6847 (7) 0.23554 (19) 0.096 (3)
C8F −0.1693 (3) 0.6715 (6) 0.17190 (15) 0.073 (2)
O1A 0.3337 (3) 0.8459 (7) 0.82422 (15) 0.140 (3)
O2A 0.4000 (3) 1.0348 (7) 0.85151 (18) 0.154 (3)
O3A 0.0552 (2) 1.0121 (4) 0.98158 (12) 0.0765 (15)
O4A −0.01771 (19) 0.8303 (4) 0.94775 (9) 0.0700 (11)
N1A 0.3371 (4) 0.9421 (8) 0.84779 (16) 0.098 (3)
C1A 0.1158 (3) 0.8436 (6) 0.89404 (15) 0.064 (2)
C2A 0.1873 (3) 0.8444 (6) 0.86886 (14) 0.0713 (19)
C3A 0.2605 (3) 0.9417 (7) 0.87478 (14) 0.065 (2)
C4A 0.2678 (3) 1.0374 (6) 0.90457 (16) 0.070 (2)
C5A 0.1970 (3) 1.0351 (6) 0.92933 (16) 0.064 (2)
C6A 0.1205 (3) 0.9379 (5) 0.92473 (13) 0.0490 (18)
C7A 0.0485 (3) 0.9338 (6) 0.95380 (16) 0.0563 (19)
O1B −0.1107 (3) 0.3497 (8) 0.91296 (15) 0.150 (3)
O2B −0.1729 (4) 0.5467 (7) 0.88524 (17) 0.160 (3)
O3B 0.1768 (2) 0.5131 (4) 0.75805 (11) 0.0763 (16)
O4B 0.2464 (2) 0.3288 (4) 0.79171 (9) 0.0753 (11)
N1B −0.1128 (4) 0.4515 (8) 0.88884 (17) 0.097 (2)
C1B 0.1109 (3) 0.3415 (6) 0.84378 (15) 0.066 (2)
C2B 0.0394 (3) 0.3459 (6) 0.86889 (15) 0.075 (2)
C3B −0.0337 (3) 0.4471 (7) 0.86285 (16) 0.067 (2)
C4B −0.0389 (3) 0.5436 (6) 0.83350 (18) 0.077 (2)
C5B 0.0330 (3) 0.5380 (6) 0.80844 (14) 0.0640 (19)
C6B 0.1076 (3) 0.4385 (6) 0.81337 (15) 0.0530 (19)
C7B 0.1806 (3) 0.4309 (7) 0.78477 (16) 0.060 (2)
O1C −0.2126 (3) 0.0101 (5) 0.11550 (15) 0.111 (2)
O2C −0.2654 (2) 0.2206 (6) 0.14139 (12) 0.109 (2)
O3C 0.1291 (2) 0.2807 (5) 0.24426 (12) 0.0857 (16)
O4C 0.19185 (19) 0.0829 (4) 0.21284 (11) 0.0787 (13)
N1C −0.2061 (3) 0.1190 (7) 0.13629 (14) 0.079 (2)
C1C 0.0359 (3) 0.0609 (6) 0.16908 (14) 0.0567 (18)
C2C −0.0454 (3) 0.0446 (6) 0.14892 (13) 0.0603 (17)
C3C −0.1192 (3) 0.1379 (6) 0.15836 (14) 0.0550 (18)
C4C −0.1162 (3) 0.2450 (6) 0.18644 (15) 0.0570 (19)
C5C −0.0356 (3) 0.2575 (6) 0.20585 (14) 0.0513 (17)
C6C 0.0404 (3) 0.1651 (5) 0.19758 (12) 0.0453 (16)
C7C 0.1274 (3) 0.1787 (6) 0.22040 (16) 0.0597 (19)
O1D −0.0520 (2) 0.2967 (5) 0.08810 (10) 0.0843 (15)
O2D 0.0105 (3) 0.4724 (6) 0.12218 (15) 0.116 (2)
O3D 0.41943 (19) 0.4058 (4) 0.02846 (10) 0.0757 (13)
O4D 0.3581 (2) 0.2083 (4) −0.00369 (11) 0.0883 (18)
N1D 0.0139 (3) 0.3771 (6) 0.09787 (13) 0.0653 (17)
C1D 0.1914 (3) 0.2332 (5) 0.03318 (14) 0.0507 (19)
C2D 0.1092 (3) 0.2513 (5) 0.05167 (14) 0.0550 (19)
C3D 0.1047 (3) 0.3539 (5) 0.08009 (13) 0.0497 (17)
C4D 0.1804 (3) 0.4396 (6) 0.09091 (13) 0.0587 (17)
C5D 0.2617 (3) 0.4257 (5) 0.07166 (14) 0.0570 (19)
C6D 0.2680 (2) 0.3227 (5) 0.04234 (13) 0.0473 (16)
C7D 0.3560 (3) 0.3117 (6) 0.02039 (15) 0.0583 (19)
H1E 0.03830 0.62960 0.01770 0.0610*
H2E 0.24920 0.87990 0.04960 0.0730*
H4E 0.26710 0.60070 −0.03710 0.0660*
H6K 0.04390 0.73930 0.08090 0.1050*
H6L 0.02120 0.88800 0.05700 0.1050*
H6M 0.10540 0.89200 0.08400 0.1050*
H7K 0.37990 0.90860 0.00570 0.1330*
H7L 0.39150 0.77880 −0.02440 0.1330*
H7M 0.41190 0.73730 0.01640 0.1330*
H8K 0.02780 0.50980 −0.03770 0.1070*
H8L 0.09880 0.37630 −0.02760 0.1070*
H8M 0.11760 0.48630 −0.06110 0.1070*
H1F −0.19180 0.86790 0.22170 0.0530*
H2F 0.04230 0.89040 0.27360 0.0670*
H4F 0.01070 0.60740 0.18750 0.0680*
H6P −0.08390 1.05820 0.29190 0.1080*
H6R −0.17750 0.96420 0.28930 0.1080*
H6S −0.15590 1.09910 0.26130 0.1080*
H7P 0.15710 0.60450 0.21780 0.1440*
H7R 0.15160 0.64200 0.25950 0.1440*
H7S 0.18480 0.77270 0.23220 0.1440*
H8P −0.19170 0.75890 0.15770 0.1100*
H8R −0.22070 0.61960 0.18350 0.1100*
H8S −0.13790 0.59780 0.15630 0.1100*
H1A 0.06430 0.77930 0.89030 0.0770*
H1O −0.05570 0.82900 0.96720 0.0840*
H2A 0.18510 0.77980 0.84840 0.0850*
H4A 0.31930 1.10210 0.90790 0.0840*
H5A 0.20040 1.10020 0.94970 0.0760*
H1B 0.16100 0.27380 0.84730 0.0790*
H2B 0.04070 0.28170 0.88940 0.0890*
H2O 0.28270 0.31080 0.77220 0.0900*
H4B −0.08910 0.61140 0.83020 0.0920*
H5B 0.03080 0.60260 0.78800 0.0770*
H1C 0.08770 0.00040 0.16310 0.0680*
H2C −0.04940 −0.02690 0.12980 0.0730*
H4C −0.16740 0.30730 0.19210 0.0680*
H5C −0.03200 0.32940 0.22490 0.0610*
H1D 0.19540 0.16000 0.01440 0.0610*
H2D 0.05710 0.19380 0.04480 0.0660*
H4D 0.17690 0.50620 0.11100 0.0700*
H5D 0.31300 0.48590 0.07830 0.0680*