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. 2008 Nov 8;64(Pt 12):o2262. doi: 10.1107/S1600536808035393
x y z Uiso*/Ueq
Br1 0.13230 (4) 0.06577 (4) 0.356022 (12) 0.07448 (16)
O1 0.2545 (2) 0.37496 (19) 0.61523 (7) 0.0588 (5)
O2 0.1723 (2) 0.55519 (18) 0.65633 (7) 0.0532 (5)
N1 0.0365 (2) 0.3710 (2) 0.45039 (8) 0.0492 (5)
N2 0.1726 (2) 0.4846 (2) 0.50653 (8) 0.0425 (5)
N3 0.35221 (19) 0.3775 (2) 0.48963 (8) 0.0481 (5)
N4 0.2808 (2) 0.5942 (2) 0.59153 (8) 0.0441 (5)
C1 0.0386 (3) 0.2736 (3) 0.41650 (10) 0.0508 (7)
H1 −0.0350 0.2529 0.4006 0.061*
C2 0.1457 (3) 0.2029 (3) 0.40420 (9) 0.0488 (6)
C3 0.2584 (3) 0.2271 (3) 0.42539 (9) 0.0499 (6)
H3 0.3301 0.1795 0.4167 0.060*
C4 0.2590 (2) 0.3268 (3) 0.46047 (8) 0.0426 (6)
C5 0.1455 (2) 0.3930 (3) 0.47101 (9) 0.0395 (5)
C6 0.2964 (2) 0.4704 (3) 0.51590 (9) 0.0414 (6)
C7 0.3610 (2) 0.5565 (3) 0.55229 (10) 0.0463 (6)
H7A 0.4320 0.5056 0.5644 0.056*
H7B 0.3920 0.6400 0.5374 0.056*
C8 0.2370 (2) 0.4976 (3) 0.62088 (9) 0.0411 (6)
C9 0.1098 (3) 0.4696 (3) 0.69213 (10) 0.0563 (7)
C10 0.2031 (4) 0.3846 (5) 0.71874 (13) 0.0989 (13)
H10A 0.2389 0.3172 0.6978 0.148*
H10B 0.1625 0.3384 0.7446 0.148*
H10C 0.2675 0.4436 0.7308 0.148*
C11 0.0119 (4) 0.3815 (5) 0.66859 (16) 0.1005 (14)
H11A 0.0515 0.3131 0.6491 0.151*
H11B −0.0406 0.4389 0.6493 0.151*
H11C −0.0375 0.3366 0.6924 0.151*
C12 0.0497 (4) 0.5769 (4) 0.72365 (14) 0.0929 (13)
H12A 0.1132 0.6315 0.7386 0.139*
H12B 0.0005 0.5317 0.7474 0.139*
H12C −0.0027 0.6358 0.7049 0.139*
H2 0.124 (3) 0.537 (3) 0.5189 (11) 0.051 (9)*
H3A 0.272 (2) 0.678 (3) 0.5990 (8) 0.034 (7)*