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. 2010 Feb 6;66(Pt 3):o542. doi: 10.1107/S1600536810003831
x y z Uiso*/Ueq
N1 0.54565 (17) 0.50653 (18) 0.21981 (11) 0.0443 (4)
N2 0.41517 (19) 0.53627 (19) 0.18161 (11) 0.0457 (4)
N3 0.0801 (2) 0.6980 (3) 0.03464 (14) 0.0763 (7)
O1 0.84079 (19) 0.3686 (2) 0.05708 (12) 0.0681 (5)
O2 0.33671 (17) 0.66164 (18) 0.29682 (10) 0.0586 (4)
C1 0.7782 (2) 0.4068 (2) 0.20059 (15) 0.0454 (5)
C2 0.8837 (2) 0.3667 (2) 0.14119 (15) 0.0508 (5)
C3 1.0208 (3) 0.3312 (3) 0.1677 (2) 0.0635 (7)
H3 1.0901 0.3046 0.1279 0.076*
C4 1.0535 (3) 0.3360 (3) 0.2543 (2) 0.0662 (7)
H4 1.1455 0.3123 0.2724 0.079*
C5 0.9519 (3) 0.3753 (3) 0.31421 (19) 0.0621 (6)
H5 0.9751 0.3784 0.3722 0.075*
C6 0.8156 (3) 0.4098 (2) 0.28694 (15) 0.0516 (5)
H6 0.7469 0.4358 0.3273 0.062*
C7 0.6357 (2) 0.4433 (2) 0.17089 (15) 0.0466 (5)
H7 0.6091 0.4202 0.1151 0.056*
C8 0.3205 (2) 0.6206 (2) 0.22245 (13) 0.0420 (5)
C9 0.1932 (2) 0.6646 (2) 0.17108 (14) 0.0428 (5)
C10 0.0723 (3) 0.7159 (3) 0.21159 (16) 0.0623 (7)
H10 0.0690 0.7228 0.2710 0.075*
C11 −0.0433 (3) 0.7567 (4) 0.1626 (2) 0.0797 (9)
H11 −0.1265 0.7907 0.1884 0.096*
C12 −0.0339 (3) 0.7463 (4) 0.07564 (19) 0.0779 (9)
H12 −0.1125 0.7749 0.0432 0.093*
C13 0.1914 (3) 0.6590 (3) 0.08281 (14) 0.0571 (6)
H13 0.2732 0.6259 0.0550 0.069*
C14 0.9423 (4) 0.3294 (4) −0.0070 (2) 0.0921 (11)
H14A 1.0234 0.3926 −0.0041 0.138*
H14B 0.8987 0.3366 −0.0626 0.138*
H14C 0.9734 0.2325 0.0026 0.138*
H2 0.394 (3) 0.496 (3) 0.1309 (11) 0.080*