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. 2010 Jul 7;66(Pt 8):m894. doi: 10.1107/S1600536810026000
x y z Uiso*/Ueq
C1 1.0572 (3) 0.1738 (3) 0.7826 (3) 0.0250 (4)
H1B 0.9796 0.0794 0.7636 0.030*
H1A 1.1463 0.1485 0.8422 0.030*
C2 1.1135 (3) 0.2435 (3) 0.6371 (3) 0.0262 (5)
H2B 1.2008 0.3300 0.6565 0.031*
H2A 1.1523 0.1675 0.5757 0.031*
C3 0.8796 (3) 0.1769 (2) 0.4653 (2) 0.0226 (4)
H3B 0.8488 0.0845 0.5248 0.027*
H3A 0.9349 0.1504 0.3775 0.027*
C4 0.7365 (3) 0.2401 (3) 0.4169 (3) 0.0264 (5)
H4B 0.7672 0.3273 0.3506 0.032*
H4A 0.6610 0.1614 0.3615 0.032*
C5 0.5518 (3) 0.1652 (2) 0.6197 (3) 0.0227 (4)
H5B 0.5989 0.0732 0.6275 0.027*
H5A 0.4539 0.1403 0.5579 0.027*
C6 0.5167 (3) 0.2183 (3) 0.7734 (3) 0.0246 (5)
H6B 0.4571 0.3019 0.7645 0.030*
H6A 0.4521 0.1338 0.8261 0.030*
C7 0.7290 (3) 0.1527 (3) 0.9414 (3) 0.0272 (5)
H7B 0.7284 0.0635 0.8761 0.033*
H7A 0.6640 0.1198 1.0277 0.033*
C8 0.8955 (3) 0.2202 (3) 0.9938 (3) 0.0289 (5)
H8B 0.8945 0.3004 1.0695 0.035*
H8A 0.9460 0.1405 1.0393 0.035*
N1 0.9846 (2) 0.2852 (2) 0.8642 (2) 0.0224 (4)
H1 1.060 (3) 0.356 (3) 0.895 (3) 0.027 (7)*
N2 0.9827 (2) 0.2966 (2) 0.5561 (2) 0.0214 (4)
H2 1.023 (3) 0.370 (3) 0.494 (3) 0.028 (7)*
N3 0.6625 (2) 0.2895 (2) 0.5510 (2) 0.0216 (4)
H3 0.616 (3) 0.365 (3) 0.526 (4) 0.036 (8)*
N4 0.6657 (2) 0.2715 (2) 0.8587 (2) 0.0218 (4)
H4 0.650 (4) 0.339 (3) 0.924 (3) 0.032 (8)*
O1 0.86208 (19) 0.58802 (17) 0.7174 (2) 0.0254 (3)
O2 0.6912 (2) 0.7196 (2) 0.9423 (2) 0.0353 (4)
O3 0.7520 (2) 0.87043 (18) 0.6678 (2) 0.0310 (4)
O4 0.5312 (2) 0.58763 (19) 0.6764 (2) 0.0290 (4)
Cu 0.83378 (3) 0.35012 (3) 0.71091 (3) 0.01771 (8)
Mo 0.70937 (2) 0.692556 (18) 0.750742 (19) 0.01796 (7)
O5 0.6967 (2) 0.4797 (2) 0.1142 (2) 0.0292 (4)
H5 0.621 (3) 0.452 (3) 0.168 (3) 0.033 (8)*
H6 0.678 (5) 0.556 (3) 0.069 (4) 0.058 (12)*