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. 2010 Jan 30;66(Pt 2):m242–m243. doi: 10.1107/S1600536810003351
x y z Uiso*/Ueq
Zn1 0.39746 (3) 0.27581 (3) 0.304853 (19) 0.01820 (9)
O1 0.16169 (19) 0.20226 (15) 0.34643 (12) 0.0202 (3)
O2 −0.32670 (19) −0.16202 (17) 0.32111 (13) 0.0239 (4)
H2O −0.3576 −0.2526 0.3012 0.036*
O3 0.30726 (19) 0.37780 (16) 0.18911 (12) 0.0204 (3)
O4 0.4981 (2) 0.70910 (18) 0.00903 (13) 0.0290 (4)
H4O 0.6065 0.7601 0.0013 0.044*
O5 0.1803 (2) 0.1858 (2) 0.01793 (14) 0.0367 (4)
H5P 0.2119 0.2596 0.0646 0.055*
H5O 0.1264 0.1984 −0.0383 0.055*
O6 0.0879 (2) 0.29498 (19) −0.16109 (14) 0.0351 (4)
H6O 0.0697 0.2177 −0.2017 0.053*
H6P 0.2077 0.3384 −0.1471 0.053*
N1 0.5988 (2) 0.2424 (2) 0.22445 (14) 0.0207 (4)
N2 0.3039 (2) 0.07661 (19) 0.24489 (14) 0.0175 (4)
N3 0.1450 (2) 0.00054 (19) 0.25994 (14) 0.0181 (4)
N4 −0.1642 (2) −0.11100 (19) 0.29900 (15) 0.0205 (4)
N5 0.5549 (2) 0.2876 (2) 0.45404 (14) 0.0212 (4)
N6 0.5524 (2) 0.4762 (2) 0.34417 (14) 0.0190 (4)
N7 0.5460 (2) 0.55914 (19) 0.27198 (14) 0.0188 (4)
N8 0.5314 (3) 0.6441 (2) 0.09127 (15) 0.0230 (4)
C1 0.7541 (3) 0.3275 (3) 0.22043 (18) 0.0258 (5)
H1 0.7857 0.4185 0.2482 0.031*
C2 0.8707 (3) 0.2868 (3) 0.17679 (19) 0.0306 (6)
H2 0.9811 0.3486 0.1767 0.037*
C3 0.8235 (3) 0.1560 (3) 0.13393 (18) 0.0288 (6)
H3 0.9005 0.1263 0.1035 0.035*
C4 0.6620 (3) 0.0680 (3) 0.13569 (18) 0.0255 (5)
H4 0.6257 −0.0224 0.1055 0.031*
C5 0.5538 (3) 0.1148 (2) 0.18269 (16) 0.0203 (5)
C6 0.3825 (3) 0.0232 (2) 0.19170 (16) 0.0190 (5)
C7 0.3161 (3) −0.1184 (3) 0.14258 (19) 0.0264 (5)
H7A 0.3898 −0.1670 0.1744 0.040*
H7B 0.3181 −0.1209 0.0722 0.040*
H7C 0.1966 −0.1606 0.1488 0.040*
C8 0.0873 (3) 0.0788 (2) 0.31405 (16) 0.0165 (4)
C9 −0.0868 (3) 0.0123 (2) 0.33642 (16) 0.0174 (4)
C10 −0.1580 (3) 0.0927 (2) 0.39855 (18) 0.0223 (5)
H10A −0.2852 0.0583 0.3795 0.034*
H10B −0.1168 0.1865 0.3883 0.034*
H10C −0.1187 0.0860 0.4686 0.034*
C11 0.5453 (3) 0.1915 (3) 0.51063 (18) 0.0249 (5)
H11 0.4600 0.1061 0.4865 0.030*
C12 0.6559 (3) 0.2109 (3) 0.60431 (19) 0.0302 (6)
H12 0.6500 0.1389 0.6417 0.036*
C13 0.7726 (3) 0.3356 (3) 0.64108 (19) 0.0305 (6)
H13 0.8473 0.3514 0.7051 0.037*
C14 0.7817 (3) 0.4389 (3) 0.58458 (18) 0.0270 (5)
H14 0.8602 0.5265 0.6099 0.032*
C15 0.6724 (3) 0.4112 (2) 0.48927 (17) 0.0212 (5)
C16 0.6797 (3) 0.5119 (2) 0.42118 (16) 0.0194 (5)
C17 0.8289 (3) 0.6397 (2) 0.44150 (18) 0.0255 (5)
H17A 0.8476 0.6708 0.3786 0.038*
H17B 0.9338 0.6250 0.4774 0.038*
H17C 0.8032 0.7074 0.4818 0.038*
C18 0.4150 (3) 0.4947 (2) 0.19584 (17) 0.0183 (4)
C19 0.3910 (3) 0.5686 (2) 0.10840 (17) 0.0199 (5)
C20 0.2114 (3) 0.5440 (3) 0.04913 (19) 0.0290 (6)
H20A 0.2124 0.6132 0.0061 0.043*
H20B 0.1349 0.5468 0.0940 0.043*
H20C 0.1688 0.4560 0.0083 0.043*