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. 2009 Mar 11;65(Pt 4):o741. doi: 10.1107/S1600536809008046
x y z Uiso*/Ueq
N1 0.09178 (18) 0.5134 (3) 0.75088 (16) 0.0456 (10)
N2 0.16453 (19) 1.0602 (3) 0.98602 (16) 0.0473 (10)
O1 0.18197 (15) 0.3410 (2) 0.65385 (12) 0.0514 (9)
O2 0.21163 (16) 0.1364 (2) 0.67521 (14) 0.0556 (9)
O3 0.20521 (18) 0.0660 (3) 0.77778 (15) 0.0695 (11)
O4 0.03160 (18) 0.9210 (3) 0.71702 (15) 0.0705 (11)
H4 −0.0089 0.9295 0.7151 0.106*
O5 0.05416 (18) 0.9042 (3) 0.89798 (14) 0.0650 (10)
O6 0.01757 (18) 0.6985 (3) 0.91633 (14) 0.0644 (10)
O7 0.03635 (17) 0.6176 (2) 1.01429 (15) 0.0601 (10)
O8 0.20925 (18) 1.4749 (3) 0.99430 (17) 0.0764 (12)
H8 0.2482 1.4885 0.9871 0.115*
C1 0.1457 (2) 0.4734 (4) 0.73373 (18) 0.0447 (12)
H1 0.1741 0.5109 0.7114 0.054*
C2 0.1638 (2) 0.3693 (4) 0.74853 (18) 0.0397 (11)
C3 0.1825 (2) 0.3028 (4) 0.70673 (18) 0.0394 (11)
C4 0.1949 (2) 0.2018 (4) 0.71691 (19) 0.0456 (12)
C5 0.1922 (2) 0.1671 (4) 0.7710 (2) 0.0484 (13)
C6 0.1770 (2) 0.2326 (4) 0.8130 (2) 0.0564 (14)
H6 0.1768 0.2089 0.8492 0.068*
C7 0.1621 (2) 0.3331 (4) 0.80274 (19) 0.0498 (13)
C8 0.2416 (3) 0.3325 (5) 0.6226 (2) 0.0737 (17)
H8A 0.2794 0.3402 0.6466 0.111*
H8B 0.2425 0.3843 0.5949 0.111*
H8C 0.2433 0.2672 0.6053 0.111*
C9 0.1551 (3) 0.0923 (5) 0.6491 (3) 0.0854 (19)
H9A 0.1323 0.0492 0.6748 0.128*
H9B 0.1693 0.0531 0.6179 0.128*
H9C 0.1255 0.1450 0.6370 0.128*
C10 0.1876 (4) 0.0206 (5) 0.8287 (3) 0.103 (2)
H10A 0.2147 0.0485 0.8576 0.155*
H10B 0.1947 −0.0512 0.8266 0.155*
H10C 0.1414 0.0339 0.8364 0.155*
C11 0.1440 (3) 0.4002 (5) 0.8507 (2) 0.0784 (19)
H11A 0.0965 0.4002 0.8556 0.118*
H11B 0.1590 0.4680 0.8436 0.118*
H11C 0.1650 0.3753 0.8836 0.118*
C12 0.0783 (2) 0.6174 (4) 0.73988 (19) 0.0427 (12)
C13 0.1269 (2) 0.6905 (4) 0.7358 (2) 0.0564 (14)
H13 0.1716 0.6720 0.7382 0.068*
C14 0.1104 (3) 0.7909 (4) 0.7282 (2) 0.0598 (15)
H14 0.1441 0.8392 0.7259 0.072*
C15 0.0449 (3) 0.8208 (4) 0.7239 (2) 0.0525 (13)
C16 −0.0032 (2) 0.7480 (4) 0.7281 (2) 0.0600 (15)
H16 −0.0479 0.7663 0.7253 0.072*
C17 0.0131 (2) 0.6478 (4) 0.7362 (2) 0.0565 (14)
H17 −0.0207 0.6000 0.7393 0.068*
C18 0.1073 (2) 1.0219 (4) 0.97645 (19) 0.0497 (13)
H18 0.0744 1.0626 0.9611 0.060*
C19 0.0916 (2) 0.9151 (3) 0.98894 (19) 0.0431 (12)
C20 0.0615 (2) 0.8572 (4) 0.94810 (19) 0.0437 (12)
C21 0.0456 (2) 0.7570 (4) 0.9569 (2) 0.0441 (12)
C22 0.0562 (2) 0.7160 (4) 1.0086 (2) 0.0455 (12)
C23 0.0853 (2) 0.7717 (4) 1.0497 (2) 0.0499 (13)
H23 0.0921 0.7426 1.0842 0.060*
C24 0.1049 (2) 0.8722 (4) 1.0404 (2) 0.0472 (12)
C25 −0.0055 (3) 0.8951 (6) 0.8685 (3) 0.103 (2)
H25A −0.0030 0.8376 0.8444 0.154*
H25B −0.0126 0.9553 0.8471 0.154*
H25C −0.0419 0.8864 0.8938 0.154*
C26 0.0659 (3) 0.6435 (5) 0.8855 (3) 0.100 (2)
H26A 0.0944 0.6900 0.8663 0.150*
H26B 0.0437 0.6005 0.8593 0.150*
H26C 0.0921 0.6027 0.9100 0.150*
C27 0.0461 (3) 0.5706 (4) 1.0661 (2) 0.0809 (19)
H27A 0.0929 0.5695 1.0747 0.121*
H27B 0.0294 0.5025 1.0648 0.121*
H27C 0.0226 0.6079 1.0940 0.121*
C28 0.1402 (3) 0.9258 (4) 1.0866 (2) 0.0735 (17)
H28A 0.1876 0.9187 1.0820 0.110*
H28B 0.1270 0.8966 1.1212 0.110*
H28C 0.1286 0.9963 1.0861 0.110*
C29 0.1736 (2) 1.1670 (3) 0.98294 (18) 0.0427 (12)
C30 0.2359 (2) 1.2045 (4) 0.9702 (2) 0.0481 (13)
H30 0.2698 1.1602 0.9601 0.058*
C31 0.2483 (2) 1.3071 (4) 0.9724 (2) 0.0507 (13)
H31 0.2901 1.3317 0.9625 0.061*
C32 0.1995 (2) 1.3735 (4) 0.9891 (2) 0.0481 (12)
C33 0.1365 (2) 1.3370 (4) 1.0002 (2) 0.0570 (14)
H33 0.1025 1.3815 1.0096 0.068*
C34 0.1242 (2) 1.2354 (4) 0.9973 (2) 0.0526 (13)
H34 0.0816 1.2116 1.0052 0.063*