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. 2010 Feb 20;66(Pt 3):o656–o657. doi: 10.1107/S1600536810005866
x y z Uiso*/Ueq
O1 0.34787 (13) 0.2316 (2) 0.50086 (12) 0.0278 (6)
O2 0.60321 (15) 0.6965 (2) 0.74637 (13) 0.0341 (7)
N1 0.41055 (18) 0.2793 (3) 0.60384 (16) 0.0374 (9)
H1N 0.414 (2) 0.267 (4) 0.6479 (11) 0.045*
N2 0.32387 (16) 0.1387 (3) 0.60835 (15) 0.0252 (7)
H2N 0.333 (2) 0.138 (3) 0.6520 (11) 0.030*
N3 0.66516 (18) 0.6521 (3) 0.64143 (16) 0.0302 (8)
H3N 0.664 (2) 0.664 (3) 0.5948 (11) 0.036*
N4 0.58391 (18) 0.8006 (3) 0.64105 (15) 0.0306 (8)
H4N 0.593 (2) 0.798 (3) 0.5976 (11) 0.037*
C1 0.5353 (2) 0.3564 (3) 0.59313 (18) 0.0265 (8)
C2 0.5746 (2) 0.4512 (3) 0.61638 (18) 0.0284 (9)
H2 0.5515 0.5237 0.6160 0.034*
C3 0.6492 (2) 0.4409 (3) 0.64085 (18) 0.0260 (8)
C4 0.6807 (2) 0.3341 (3) 0.6401 (2) 0.0359 (10)
H4 0.7304 0.3254 0.6562 0.043*
C5 0.6429 (3) 0.2405 (4) 0.6169 (2) 0.0472 (12)
H5 0.6661 0.1680 0.6165 0.057*
C6 0.5719 (2) 0.2520 (4) 0.5945 (2) 0.0399 (10)
H6 0.5459 0.1860 0.5790 0.048*
C7 0.4566 (2) 0.3648 (3) 0.5684 (2) 0.0362 (10)
H7A 0.4372 0.4414 0.5801 0.043*
H7B 0.4542 0.3545 0.5146 0.043*
C8 0.35958 (18) 0.2172 (3) 0.56722 (17) 0.0221 (8)
C9 0.2612 (2) 0.0693 (3) 0.58226 (18) 0.0303 (9)
C10 0.2850 (2) −0.0051 (4) 0.5169 (2) 0.0393 (10)
H10A 0.2983 0.0437 0.4753 0.059*
H10B 0.2440 −0.0551 0.5027 0.059*
H10C 0.3278 −0.0513 0.5310 0.059*
C11 0.1961 (2) 0.1455 (4) 0.5611 (2) 0.0376 (10)
H11A 0.1792 0.1876 0.6044 0.056*
H11B 0.1556 0.0986 0.5423 0.056*
H11C 0.2119 0.1993 0.5231 0.056*
C12 0.2391 (3) −0.0088 (4) 0.6458 (2) 0.0457 (12)
H12A 0.2818 −0.0548 0.6606 0.069*
H12B 0.1988 −0.0590 0.6300 0.069*
H12C 0.2225 0.0374 0.6875 0.069*
C13 0.6909 (2) 0.5427 (3) 0.6683 (2) 0.0333 (10)
H13A 0.6883 0.5433 0.7225 0.040*
H13B 0.7435 0.5339 0.6545 0.040*
C14 0.6158 (2) 0.7160 (3) 0.68049 (18) 0.0272 (8)
C15 0.5256 (2) 0.8778 (3) 0.66675 (18) 0.0259 (8)
C16 0.5559 (2) 0.9634 (3) 0.7207 (2) 0.0362 (10)
H16A 0.5762 0.9234 0.7634 0.054*
H16B 0.5161 1.0143 0.7366 0.054*
H16C 0.5951 1.0079 0.6972 0.054*
C17 0.4608 (2) 0.8133 (4) 0.6996 (2) 0.0417 (11)
H17A 0.4416 0.7590 0.6635 0.063*
H17B 0.4216 0.8671 0.7131 0.063*
H17C 0.4773 0.7723 0.7435 0.063*
C18 0.4988 (3) 0.9395 (4) 0.5971 (2) 0.0434 (11)
H18A 0.5408 0.9771 0.5733 0.065*
H18B 0.4616 0.9966 0.6105 0.065*
H18C 0.4768 0.8843 0.5632 0.065*