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. 2012 Feb 10;68(Pt 3):m287. doi: 10.1107/S1600536812002462
x y z Uiso*/Ueq
Sm1 0.373309 (7) 0.222784 (18) 0.378119 (7) 0.01049 (4)
Sm2 0.374965 (8) 0.250031 (17) 0.896720 (7) 0.01111 (5)
N1 0.42996 (13) 0.3322 (3) 0.27802 (12) 0.0125 (4)
C1 0.38355 (15) 0.4105 (3) 0.21147 (15) 0.0127 (5)
C2 0.40694 (15) 0.4323 (3) 0.14877 (15) 0.0139 (5)
H2A 0.3735 0.4861 0.1023 0.017*
C3 0.48176 (15) 0.3710 (3) 0.15774 (15) 0.0125 (5)
C4 0.53246 (15) 0.3029 (4) 0.22948 (15) 0.0136 (5)
H4A 0.5840 0.2707 0.2377 0.016*
C5 0.50357 (15) 0.2846 (3) 0.28859 (15) 0.0119 (5)
C6 0.30319 (15) 0.4640 (4) 0.20964 (15) 0.0145 (5)
O1 0.26044 (11) 0.5719 (3) 0.15807 (11) 0.0185 (4)
O2 0.28618 (11) 0.3912 (3) 0.26427 (11) 0.0206 (4)
C7 0.50797 (15) 0.3719 (3) 0.08959 (14) 0.0124 (5)
O3 0.45938 (12) 0.3160 (3) 0.02671 (11) 0.0219 (4)
O4 0.57737 (11) 0.4236 (3) 0.10278 (11) 0.0172 (4)
C8 0.55086 (16) 0.2082 (4) 0.36836 (16) 0.0146 (5)
O5 0.62134 (12) 0.1852 (3) 0.38807 (12) 0.0278 (5)
O6 0.51110 (11) 0.1716 (3) 0.41069 (11) 0.0183 (4)
O7 0.36682 (12) −0.0503 (3) 0.29113 (11) 0.0220 (4)
H7B 0.3178 −0.0743 0.2654 0.026*
H7A 0.3869 −0.0502 0.2585 0.026*
O8 0.40849 (13) 0.5640 (3) 0.39790 (13) 0.0267 (5)
H8A 0.4563 0.6135 0.4218 0.032*
H8B 0.3682 0.5986 0.4083 0.032*
O9 0.37653 (13) −0.0753 (3) 0.45208 (12) 0.0232 (4)
H9A 0.4159 −0.0992 0.4946 0.028*
H9B 0.3363 −0.1166 0.4672 0.028*
N2 0.38147 (13) 0.2822 (3) 0.76366 (13) 0.0126 (4)
C9 0.31935 (15) 0.3494 (3) 0.70511 (15) 0.0136 (5)
C10 0.31717 (16) 0.3588 (4) 0.62931 (15) 0.0164 (5)
H10A 0.2726 0.4017 0.5888 0.020*
C11 0.38335 (16) 0.3023 (4) 0.61614 (15) 0.0144 (5)
C12 0.44856 (17) 0.2360 (3) 0.67751 (16) 0.0142 (5)
H12A 0.4938 0.2004 0.6699 0.017*
C13 0.44461 (16) 0.2242 (3) 0.75073 (16) 0.0135 (5)
C14 0.25231 (16) 0.4146 (4) 0.72805 (15) 0.0148 (5)
O10 0.19320 (12) 0.4815 (3) 0.67583 (11) 0.0210 (4)
O11 0.26175 (12) 0.3950 (3) 0.79795 (11) 0.0232 (4)
C15 0.38312 (17) 0.3038 (4) 0.53467 (15) 0.0157 (5)
O12 0.44658 (13) 0.2832 (3) 0.52504 (12) 0.0221 (4)
O13 0.31898 (12) 0.3173 (3) 0.47848 (11) 0.0212 (4)
C16 0.50960 (15) 0.1461 (3) 0.82233 (15) 0.0134 (5)
O14 0.57112 (12) 0.0880 (3) 0.81788 (11) 0.0206 (4)
O15 0.49458 (12) 0.1467 (3) 0.88390 (11) 0.0198 (4)
O16 0.39568 (13) −0.0498 (3) 0.97353 (11) 0.0244 (4)
H16B 0.4251 −0.0676 1.0162 0.029*
H16A 0.3898 −0.1564 0.9530 0.029*
O17 0.28096 (12) 0.3100 (3) 0.95460 (13) 0.0283 (5)
H17B 0.2358 0.3132 0.9261 0.034*
H17A 0.2806 0.2465 0.9929 0.034*
O18 0.21204 (15) 0.6072 (3) 0.41898 (14) 0.0374 (6)
H18B 0.2389 0.5106 0.4367 0.045*
H18A 0.1688 0.5550 0.3908 0.045*