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. 2008 Jun 19;64(Pt 7):o1299. doi: 10.1107/S1600536808018230
x y z Uiso*/Ueq
N1 0.32493 (12) 0.0027 (2) 0.63912 (17) 0.0476 (4)
H1N 0.324 −0.0067 0.7291 0.057*
O1 0.27687 (12) −0.0838 (2) 0.41847 (15) 0.0654 (5)
C1 0.27534 (13) −0.0900 (2) 0.5470 (2) 0.0446 (5)
C2 0.21752 (13) −0.2015 (2) 0.6052 (2) 0.0435 (5)
C3 0.15307 (16) −0.2637 (3) 0.5109 (2) 0.0523 (5)
H3 0.1478 −0.2349 0.4153 0.063*
C4 0.09687 (16) −0.3669 (3) 0.5561 (3) 0.0601 (6)
H4 0.0532 −0.4056 0.492 0.072*
C5 0.10537 (18) −0.4130 (3) 0.6967 (3) 0.0664 (7)
H5 0.0679 −0.4843 0.7276 0.08*
C6 0.16901 (17) −0.3537 (3) 0.7909 (3) 0.0655 (7)
H6 0.1745 −0.3852 0.8859 0.079*
C7 0.22549 (17) −0.2472 (3) 0.7468 (2) 0.0534 (5)
H7 0.2683 −0.2068 0.8118 0.064*
C8 0.37898 (15) 0.1165 (3) 0.5877 (2) 0.0523 (5)
C9 0.36263 (18) 0.2796 (3) 0.5956 (3) 0.0611 (6)
C10 0.4128 (2) 0.3869 (4) 0.5370 (4) 0.0872 (10)
H10 0.4028 0.4971 0.5414 0.105*
C11 0.4773 (3) 0.3323 (6) 0.4721 (5) 0.1051 (13)
H11 0.5097 0.4056 0.431 0.126*
C12 0.4940 (2) 0.1719 (6) 0.4678 (4) 0.0922 (10)
H12 0.5382 0.1373 0.4245 0.111*
C13 0.44632 (17) 0.0583 (4) 0.5268 (3) 0.0714 (7)
C14 0.46683 (19) −0.1163 (3) 0.5241 (4) 0.0916 (10)
H14A 0.5245 −0.1288 0.5198 0.137*
H14B 0.4358 −0.1657 0.4421 0.137*
H14C 0.4535 −0.1671 0.6088 0.137*
C15 0.29134 (19) 0.3401 (3) 0.6634 (3) 0.0813 (8)
H15A 0.3035 0.329 0.7649 0.122*
H15B 0.2817 0.4516 0.6394 0.122*
H15C 0.2432 0.2782 0.6291 0.122*
N2 0.82433 (12) 0.5011 (2) 0.52006 (18) 0.0491 (4)
H2N 0.8272 0.4924 0.6109 0.059*
O2 0.87411 (12) 0.4211 (2) 0.32326 (16) 0.0615 (5)
C21 0.87462 (13) 0.4123 (3) 0.4518 (2) 0.0432 (5)
C22 0.93234 (13) 0.2984 (2) 0.5387 (2) 0.0432 (5)
C23 0.99704 (15) 0.2371 (3) 0.4762 (2) 0.0524 (5)
H23 1.0031 0.268 0.3841 0.063*
C24 1.05223 (16) 0.1314 (3) 0.5484 (3) 0.0617 (6)
H24 1.0959 0.0927 0.5058 0.074*
C25 1.04286 (19) 0.0830 (4) 0.6833 (3) 0.0695 (7)
H25 1.0798 0.0102 0.7319 0.083*
C26 0.9794 (2) 0.1416 (4) 0.7462 (3) 0.0706 (7)
H26 0.9733 0.1089 0.8379 0.085*
C27 0.92362 (17) 0.2497 (3) 0.6748 (2) 0.0552 (6)
H27 0.8805 0.2892 0.7185 0.066*
C28 0.76616 (16) 0.6096 (3) 0.4456 (3) 0.0574 (6)
C29 0.69959 (18) 0.5439 (5) 0.3541 (3) 0.0782 (8)
C30 0.6445 (3) 0.6494 (8) 0.2804 (4) 0.1161 (14)
H30 0.5997 0.6093 0.2198 0.139*
C31 0.6549 (4) 0.8115 (8) 0.2950 (5) 0.1338 (18)
H31 0.6174 0.8807 0.2432 0.161*
C32 0.7200 (3) 0.8750 (5) 0.3850 (5) 0.1149 (14)
H32 0.7256 0.9862 0.3944 0.138*
C33 0.7778 (2) 0.7734 (4) 0.4626 (3) 0.0749 (8)
C34 0.8494 (3) 0.8415 (4) 0.5588 (4) 0.0956 (11)
H34A 0.8985 0.7854 0.5439 0.143*
H34B 0.8406 0.8288 0.6561 0.143*
H34C 0.855 0.954 0.5383 0.143*
C35 0.6868 (2) 0.3667 (5) 0.3381 (4) 0.0944 (11)
H35A 0.6348 0.3462 0.2812 0.142*
H35B 0.6876 0.3186 0.4303 0.142*
H35C 0.73 0.3209 0.2924 0.142*