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. 2009 Feb 28;65(Pt 3):m351. doi: 10.1107/S160053680900676X
x y z Uiso*/Ueq Occ. (<1)
Cd1 0.51781 (3) 0.91405 (2) 0.161135 (15) 0.02659 (8)
O1 0.4292 (3) 1.0353 (2) 0.23583 (15) 0.0268 (6)
O2 0.3751 (4) 0.6433 (4) 0.03403 (18) 0.0480 (10)
O3 0.3595 (3) 0.9780 (3) 0.07339 (16) 0.0324 (7)
O4 0.8882 (3) 0.8905 (3) 0.2077 (2) 0.0440 (10)
O5 0.5567 (4) 0.7740 (3) 0.1042 (2) 0.0455 (10)
H5O 0.4832 0.7428 0.1054 0.068*
O6 0.6498 (3) 0.8632 (4) 0.2391 (2) 0.0489 (11)
H6O 0.7195 0.8896 0.2305 0.073*
N1 0.3595 (3) 0.8468 (3) 0.21076 (16) 0.0205 (6)
N2 0.2922 (3) 0.7694 (3) 0.19269 (17) 0.0232 (7)
N3 0.3298 (3) 0.7260 (3) 0.14246 (17) 0.0257 (7)
N4 0.5715 (3) 1.0479 (3) 0.10768 (17) 0.0229 (7)
N5 0.6843 (3) 1.0783 (3) 0.11376 (15) 0.0234 (6)
N6 0.7468 (3) 1.0152 (3) 0.14575 (17) 0.0234 (7)
C1 0.3554 (4) 0.9904 (3) 0.28023 (19) 0.0222 (7)
C2 0.3200 (4) 0.8898 (3) 0.2670 (2) 0.0231 (8)
C3 0.2489 (4) 0.8391 (4) 0.3104 (2) 0.0270 (8)
H3A 0.2279 0.7701 0.3036 0.032*
C4 0.2081 (5) 0.8886 (4) 0.3639 (2) 0.0337 (10)
H4A 0.1579 0.8537 0.3928 0.040*
C5 0.2404 (5) 0.9878 (4) 0.3750 (2) 0.0361 (11)
H5A 0.2107 1.0215 0.4109 0.043*
C6 0.3162 (4) 1.0390 (4) 0.3338 (2) 0.0320 (9)
H6A 0.3407 1.1067 0.3422 0.038*
C7 0.2556 (4) 0.6430 (3) 0.1242 (2) 0.0277 (9)
C8 0.2825 (5) 0.5977 (4) 0.0674 (2) 0.0376 (11)
C9 0.2153 (6) 0.5154 (5) 0.0456 (3) 0.0469 (14)
H9A 0.2344 0.4852 0.0066 0.056*
C10 0.1206 (6) 0.4780 (5) 0.0811 (3) 0.0523 (16)
H10A 0.0740 0.4226 0.0661 0.063*
C11 0.0932 (6) 0.5205 (4) 0.1384 (3) 0.0455 (13)
H11A 0.0286 0.4946 0.1629 0.055*
C12 0.1629 (4) 0.6025 (3) 0.1594 (3) 0.0352 (10)
H12A 0.1459 0.6309 0.1991 0.042*
C13 0.4891 (7) 1.1271 (4) 0.2534 (3) 0.0533 (17)
H13A 0.4285 1.1796 0.2619 0.080*
H13B 0.5420 1.1494 0.2194 0.080*
H13C 0.5377 1.1151 0.2908 0.080*
C14 0.4088 (7) 0.5967 (7) −0.0236 (3) 0.069 (2)
H14A 0.4676 0.6398 −0.0452 0.104*
H14B 0.3367 0.5881 −0.0497 0.104*
H14C 0.4452 0.5303 −0.0153 0.104*
C15 0.4934 (4) 1.1159 (3) 0.07856 (18) 0.0234 (8)
C16 0.3771 (4) 1.0781 (4) 0.06114 (19) 0.0276 (8)
C17 0.2928 (4) 1.1424 (4) 0.0334 (2) 0.0309 (9)
H17A 0.2156 1.1169 0.0218 0.037*
C18 0.3205 (4) 1.2424 (4) 0.0228 (2) 0.0330 (10)
H18A 0.2620 1.2854 0.0039 0.040*
C19 0.4324 (4) 1.2816 (4) 0.0393 (2) 0.0328 (10)
H19A 0.4511 1.3508 0.0316 0.039*
C20 0.5178 (4) 1.2176 (3) 0.06748 (19) 0.0273 (8)
H20A 0.5943 1.2445 0.0793 0.033*
C21 0.8696 (3) 1.0449 (3) 0.1529 (2) 0.0230 (8)
C22 0.9429 (4) 0.9784 (4) 0.1876 (2) 0.0287 (9)
C23 1.0637 (4) 1.0021 (5) 0.1995 (3) 0.0418 (13)
H23A 1.1120 0.9581 0.2242 0.050*
C24 1.1133 (4) 1.0911 (5) 0.1749 (2) 0.0365 (10)
H24A 1.1956 1.1078 0.1830 0.044*
C25 1.0437 (4) 1.1540 (4) 0.1393 (2) 0.0328 (10)
H25A 1.0783 1.2136 0.1220 0.039*
C26 0.9219 (4) 1.1314 (3) 0.1281 (2) 0.0250 (8)
H26A 0.8745 1.1757 0.1031 0.030*
C27 0.2458 (5) 0.9342 (5) 0.0562 (2) 0.0404 (12)
H27A 0.2482 0.8608 0.0635 0.061*
H27B 0.2301 0.9473 0.0121 0.061*
H27C 0.1810 0.9644 0.0814 0.061*
C28 0.9622 (5) 0.8102 (5) 0.2272 (4) 0.0603 (19)
H28A 0.9137 0.7482 0.2305 0.090*
H28B 0.9972 0.8264 0.2680 0.090*
H28C 1.0275 0.8000 0.1969 0.090*
C29 0.6093 (11) 0.7716 (10) 0.0456 (4) 0.064 (3)* 0.70
H29A 0.6073 0.7021 0.0295 0.096* 0.70
H29B 0.6935 0.7946 0.0485 0.096* 0.70
H29C 0.5642 0.8163 0.0175 0.096* 0.70
C29' 0.566 (3) 0.808 (3) 0.0417 (7) 0.077 (8)* 0.30
H29D 0.5572 0.7501 0.0134 0.116* 0.30
H29E 0.6451 0.8398 0.0352 0.116* 0.30
H29F 0.5017 0.8574 0.0333 0.116* 0.30
C30 0.6405 (5) 0.8652 (5) 0.3049 (3) 0.0467 (13)
H30A 0.7028 0.8212 0.3230 0.070*
H30B 0.5601 0.8411 0.3175 0.070*
H30C 0.6522 0.9348 0.3198 0.070*