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. 2011 May 7;67(Pt 6):o1306. doi: 10.1107/S1600536811015972
x y z Uiso*/Ueq
O1 0.0272 (2) 0.97612 (14) 0.33939 (12) 0.0172 (3)
O2 0.00294 (19) 1.04199 (14) 0.16223 (12) 0.0167 (3)
O3 0.3922 (2) 0.95680 (14) 0.34847 (12) 0.0163 (3)
O4 0.1832 (2) 0.78094 (13) 0.12086 (12) 0.0154 (3)
O5 0.6410 (2) 1.02428 (13) 0.15147 (12) 0.0153 (3)
O6 0.5609 (2) 0.80301 (14) 0.09605 (13) 0.0192 (3)
O1W 0.2228 (2) 0.90933 (13) 0.55174 (12) 0.0145 (3)
O2W 0.1595 (2) 1.23818 (15) 0.04324 (13) 0.0174 (3)
N1 0.2289 (2) 0.65380 (16) 0.46822 (15) 0.0143 (3)
N2 0.2713 (2) 0.66417 (16) 0.71074 (15) 0.0171 (4)
C1 0.0952 (3) 1.00580 (17) 0.25142 (16) 0.0125 (4)
C2 0.3085 (3) 1.00188 (18) 0.24666 (16) 0.0124 (4)
H2A 0.3902 1.0934 0.2475 0.015*
C3 0.3050 (3) 0.91028 (18) 0.12952 (16) 0.0115 (4)
H3A 0.2505 0.9473 0.0594 0.014*
C4 0.5161 (3) 0.90552 (18) 0.12418 (16) 0.0122 (4)
C5 0.2130 (3) 0.6578 (2) 0.35202 (18) 0.0184 (4)
H5A 0.2027 0.7366 0.3240 0.022*
C6 0.2114 (3) 0.5459 (2) 0.27087 (19) 0.0220 (5)
H6 0.2015 0.5487 0.1876 0.026*
C7 0.2243 (3) 0.4319 (2) 0.31181 (19) 0.0213 (4)
H7 0.2216 0.3552 0.2567 0.026*
C8 0.2417 (3) 0.42852 (19) 0.43589 (19) 0.0178 (4)
C9 0.2446 (3) 0.54419 (18) 0.51418 (17) 0.0138 (4)
C10 0.2550 (3) 0.3129 (2) 0.4856 (2) 0.0220 (5)
H10 0.2530 0.2340 0.4337 0.026*
C11 0.2704 (3) 0.3145 (2) 0.6049 (2) 0.0224 (5)
H11A 0.2778 0.2366 0.6356 0.027*
C12 0.2757 (3) 0.43249 (19) 0.68601 (19) 0.0173 (4)
C13 0.2645 (3) 0.54791 (18) 0.64134 (18) 0.0149 (4)
C14 0.2935 (3) 0.4390 (2) 0.8110 (2) 0.0227 (5)
H14 0.3004 0.3633 0.8456 0.027*
C15 0.3006 (3) 0.5558 (2) 0.8818 (2) 0.0236 (5)
H15 0.3135 0.5626 0.9665 0.028*
C16 0.2888 (3) 0.6661 (2) 0.82806 (18) 0.0210 (4)
H16 0.2936 0.7464 0.8787 0.025*
H3 0.517 (5) 1.006 (3) 0.381 (3) 0.048 (9)*
H4 0.066 (4) 0.767 (3) 0.067 (3) 0.032 (7)*
H5 0.781 (5) 1.020 (3) 0.156 (3) 0.057 (10)*
H11 0.145 (5) 0.944 (4) 0.593 (4) 0.067 (11)*
H12 0.195 (4) 0.938 (3) 0.480 (3) 0.039 (8)*
H21 0.120 (5) 1.172 (4) 0.074 (3) 0.052 (10)*
H22 0.247 (5) 1.223 (3) 0.003 (3) 0.037 (8)*
H1 0.233 (5) 0.731 (3) 0.520 (3) 0.046 (8)*