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. 2007 Dec 6;64(Pt 1):o1–o2. doi: 10.1107/S160053680706182X
x y z Uiso*/Ueq
O1A −0.10825 (12) 0.78753 (8) 0.47805 (6) 0.0472 (2)
O2A −0.17664 (12) 0.86596 (9) 0.15922 (6) 0.0496 (2)
O3A −0.03310 (14) 0.76460 (9) 0.05116 (7) 0.0600 (3)
N1A −0.07106 (13) 0.78738 (9) 0.13266 (7) 0.0367 (2)
C1A 0.05600 (14) 0.67882 (10) 0.35935 (8) 0.0291 (2)
C2A 0.17987 (15) 0.59163 (10) 0.33036 (8) 0.0342 (3)
H2A 0.2367 0.5488 0.3737 0.041*
C3A 0.22047 (15) 0.56733 (11) 0.23722 (9) 0.0388 (3)
H3A 0.3027 0.5077 0.2191 0.047*
C4A 0.13914 (15) 0.63148 (11) 0.17161 (8) 0.0360 (3)
H4A 0.1660 0.6165 0.1090 0.043*
C5A 0.01681 (14) 0.71848 (10) 0.20163 (8) 0.0294 (2)
C6A −0.02749 (14) 0.74350 (10) 0.29349 (8) 0.0302 (2)
H6A −0.1114 0.8023 0.3114 0.036*
C7A 0.00284 (14) 0.70867 (10) 0.45916 (8) 0.0320 (2)
C8A 0.08663 (15) 0.64361 (10) 0.53138 (8) 0.0341 (3)
H8A 0.1754 0.5877 0.5140 0.041*
C9A 0.03681 (15) 0.66381 (10) 0.62182 (8) 0.0341 (3)
H9A −0.0554 0.7183 0.6359 0.041*
C10A 0.10965 (14) 0.61071 (10) 0.70091 (8) 0.0303 (2)
C11A 0.24015 (15) 0.52191 (10) 0.69233 (8) 0.0329 (3)
H11A 0.2816 0.4930 0.6347 0.039*
C12A 0.30868 (15) 0.47626 (11) 0.76861 (8) 0.0354 (3)
H12A 0.3952 0.4166 0.7616 0.043*
C13A 0.25029 (15) 0.51804 (11) 0.85585 (8) 0.0362 (3)
C14A 0.11819 (16) 0.60523 (12) 0.86462 (8) 0.0400 (3)
H14A 0.0763 0.6336 0.9225 0.048*
C15A 0.04786 (16) 0.65058 (11) 0.78910 (8) 0.0387 (3)
H15A −0.0415 0.7082 0.7970 0.046*
C16A 0.32905 (19) 0.47144 (14) 0.93769 (9) 0.0519 (4)
H16A 0.3731 0.5354 0.9569 0.078*
H16B 0.4208 0.4144 0.9182 0.078*
H16C 0.2436 0.4348 0.9903 0.078*
O1B 0.39815 (12) 0.28759 (8) 0.17553 (7) 0.0511 (2)
O2B 0.38505 (13) 0.39995 (8) 0.47951 (7) 0.0530 (3)
O3B 0.47675 (14) 0.27633 (10) 0.58517 (7) 0.0658 (3)
N1B 0.45688 (13) 0.30623 (10) 0.50460 (7) 0.0416 (3)
C1B 0.55580 (14) 0.17912 (10) 0.27830 (8) 0.0313 (2)
C2B 0.65291 (15) 0.07736 (11) 0.30205 (9) 0.0371 (3)
H2B 0.6974 0.0269 0.2572 0.045*
C3B 0.68412 (16) 0.05034 (11) 0.39189 (9) 0.0405 (3)
H3B 0.7478 −0.0185 0.4071 0.049*
C4B 0.62101 (15) 0.12525 (11) 0.45862 (9) 0.0391 (3)
H4B 0.6426 0.1084 0.5187 0.047*
C5B 0.52520 (14) 0.22563 (10) 0.43411 (8) 0.0325 (3)
C6B 0.48975 (14) 0.25382 (10) 0.34598 (8) 0.0329 (3)
H6B 0.4229 0.3216 0.3321 0.039*
C7B 0.51234 (15) 0.21124 (11) 0.18375 (8) 0.0359 (3)
C8B 0.60755 (16) 0.15048 (11) 0.10342 (8) 0.0377 (3)
H8B 0.7049 0.1024 0.1084 0.045*
C9B 0.55435 (15) 0.16429 (10) 0.02373 (8) 0.0349 (3)
H9B 0.4563 0.2134 0.0230 0.042*
C10B 0.63097 (14) 0.11180 (10) −0.06276 (8) 0.0315 (2)
C11B 0.76586 (15) 0.02570 (11) −0.06979 (9) 0.0371 (3)
H11B 0.8095 −0.0019 −0.0171 0.045*
C12B 0.83539 (15) −0.01901 (11) −0.15411 (8) 0.0377 (3)
H12B 0.9257 −0.0760 −0.1574 0.045*
C13B 0.77214 (16) 0.02004 (11) −0.23457 (9) 0.0368 (3)
C14B 0.63582 (16) 0.10371 (11) −0.22680 (8) 0.0372 (3)
H14B 0.5906 0.1302 −0.2791 0.045*
C15B 0.56619 (15) 0.14839 (11) −0.14243 (8) 0.0366 (3)
H15B 0.4742 0.2040 −0.1388 0.044*
C16B 0.84893 (18) −0.02696 (13) −0.32704 (9) 0.0475 (3)
H16D 0.8871 0.0373 −0.3767 0.071*
H16E 0.7641 −0.0671 −0.3429 0.071*
H16F 0.9446 −0.0811 −0.3205 0.071*