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. 2008 Mar 5;64(Pt 4):o668. doi: 10.1107/S1600536808005813
x y z Uiso*/Ueq
N1 0.3893 (2) 0.1141 (5) 0.43054 (18) 0.0628 (8)
N2 0.37993 (17) 0.4842 (3) 0.09474 (14) 0.0480 (6)
N3 0.38196 (16) 0.5979 (3) 0.03071 (14) 0.0481 (6)
O1 0.35466 (19) −0.0546 (4) 0.41861 (15) 0.0913 (9)
O2 0.4269 (2) 0.1901 (4) 0.49761 (15) 0.0915 (9)
O3 0.38954 (18) 0.7649 (3) 0.16870 (13) 0.0712 (7)
O4 0.37929 (16) 0.8238 (3) −0.31725 (12) 0.0643 (6)
O5 0.34226 (17) 0.0632 (3) 0.04415 (13) 0.0643 (6)
H5 0.3646 −0.0390 0.0708 0.096*
C1 0.3883 (2) 0.2315 (4) 0.36036 (17) 0.0474 (8)
C2 0.4211 (2) 0.4269 (5) 0.37219 (18) 0.0587 (8)
H2 0.4442 0.4847 0.4234 0.070*
C3 0.4188 (2) 0.5348 (5) 0.30657 (18) 0.0570 (8)
H3 0.4402 0.6680 0.3136 0.068*
C4 0.38535 (19) 0.4503 (4) 0.23005 (16) 0.0433 (7)
C5 0.3527 (2) 0.2511 (4) 0.22030 (18) 0.0500 (8)
H5A 0.3303 0.1916 0.1695 0.060*
C6 0.3537 (2) 0.1412 (4) 0.28616 (18) 0.0520 (8)
H6 0.3311 0.0088 0.2799 0.062*
C7 0.3851 (2) 0.5799 (4) 0.16214 (17) 0.0484 (7)
C8 0.3756 (2) 0.4971 (4) −0.03121 (18) 0.0492 (7)
H8 0.3686 0.3578 −0.0305 0.059*
C9 0.37877 (19) 0.5910 (4) −0.10321 (16) 0.0432 (7)
C10 0.3555 (2) 0.4751 (5) −0.17273 (17) 0.0525 (8)
H10 0.3393 0.3398 −0.1717 0.063*
C11 0.3559 (2) 0.5571 (4) −0.24324 (18) 0.0535 (8)
H11 0.3389 0.4783 −0.2895 0.064*
C12 0.3818 (2) 0.7574 (4) −0.24426 (17) 0.0475 (7)
C13 0.4075 (2) 0.8738 (4) −0.17570 (17) 0.0497 (8)
H13 0.4263 1.0075 −0.1762 0.060*
C14 0.4054 (2) 0.7901 (4) −0.10576 (17) 0.0495 (8)
H14 0.4221 0.8695 −0.0597 0.059*
C15 0.3969 (2) 1.0303 (5) −0.3251 (2) 0.0705 (10)
H15A 0.3480 1.1096 −0.3156 0.106*
H15B 0.3933 1.0560 −0.3787 0.106*
H15C 0.4614 1.0657 −0.2864 0.106*
C16 0.2426 (3) 0.0315 (5) −0.0070 (2) 0.0854 (11)
H16A 0.2053 0.0016 0.0250 0.128*
H16B 0.2380 −0.0796 −0.0425 0.128*
H16C 0.2166 0.1508 −0.0383 0.128*
H2A 0.377 (2) 0.3496 (16) 0.0892 (19) 0.080*