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. 2022 Apr 12;78(Pt 5):496–499. doi: 10.1107/S2056989022003784
U11 U22 U33 U12 U13 U23
Br1A 0.0648 (4) 0.0476 (4) 0.0676 (4) −0.0142 (3) −0.0086 (3) −0.0165 (3)
Br1B 0.0719 (4) 0.0510 (4) 0.0559 (4) −0.0091 (3) −0.0022 (3) −0.0133 (3)
O1A 0.068 (3) 0.049 (2) 0.061 (2) −0.0199 (19) −0.0167 (19) −0.0110 (19)
N1A 0.050 (2) 0.047 (3) 0.033 (2) −0.0052 (19) −0.0020 (17) −0.015 (2)
N1B 0.056 (3) 0.052 (3) 0.041 (2) −0.016 (2) 0.0023 (19) −0.018 (2)
N2A 0.054 (3) 0.045 (3) 0.045 (2) −0.0116 (19) −0.0074 (19) −0.011 (2)
O1B 0.069 (3) 0.059 (3) 0.075 (3) 0.002 (2) 0.018 (2) −0.005 (2)
N2B 0.058 (3) 0.052 (3) 0.040 (2) −0.003 (2) 0.0033 (19) −0.015 (2)
C9B 0.044 (3) 0.038 (3) 0.039 (3) −0.007 (2) −0.002 (2) −0.011 (2)
C9A 0.046 (3) 0.033 (3) 0.046 (3) −0.007 (2) −0.008 (2) −0.009 (2)
C2A 0.062 (3) 0.036 (3) 0.043 (3) −0.008 (2) −0.009 (2) −0.012 (2)
C10B 0.043 (3) 0.054 (4) 0.053 (3) −0.015 (2) 0.007 (2) −0.020 (3)
C4A 0.049 (3) 0.041 (3) 0.032 (3) −0.007 (2) 0.001 (2) −0.015 (2)
C6A 0.053 (3) 0.033 (3) 0.039 (3) −0.003 (2) −0.004 (2) −0.008 (2)
C7A 0.049 (3) 0.045 (3) 0.036 (3) −0.009 (2) 0.002 (2) −0.016 (2)
C14A 0.048 (3) 0.041 (3) 0.052 (3) −0.002 (2) −0.011 (2) −0.013 (2)
C3A 0.057 (3) 0.034 (3) 0.048 (3) −0.006 (2) −0.007 (2) −0.013 (2)
C8A 0.045 (3) 0.051 (4) 0.052 (3) 0.001 (2) −0.011 (2) −0.013 (3)
C4B 0.054 (3) 0.043 (3) 0.033 (3) −0.005 (2) −0.005 (2) −0.015 (2)
C6B 0.064 (4) 0.040 (3) 0.054 (3) −0.007 (3) 0.003 (3) −0.005 (3)
C13A 0.058 (3) 0.051 (4) 0.062 (4) 0.000 (3) −0.004 (3) −0.023 (3)
C5A 0.057 (3) 0.037 (3) 0.043 (3) −0.012 (2) 0.003 (2) −0.016 (2)
C8B 0.058 (3) 0.049 (3) 0.043 (3) −0.009 (2) 0.000 (2) −0.012 (3)
C14B 0.050 (3) 0.043 (3) 0.048 (3) −0.010 (2) 0.005 (2) −0.012 (3)
C10A 0.043 (3) 0.050 (3) 0.052 (3) −0.001 (2) −0.013 (2) −0.011 (3)
C13B 0.060 (3) 0.058 (4) 0.055 (4) −0.009 (3) −0.007 (3) −0.025 (3)
C11B 0.064 (4) 0.063 (4) 0.050 (3) −0.019 (3) 0.018 (3) −0.021 (3)
C1A 0.047 (3) 0.060 (4) 0.049 (3) 0.000 (3) −0.014 (2) −0.016 (3)
C12B 0.072 (4) 0.062 (4) 0.046 (3) −0.004 (3) −0.002 (3) −0.025 (3)
C7B 0.051 (3) 0.051 (4) 0.039 (3) −0.001 (3) −0.003 (2) −0.013 (3)
C2B 0.065 (4) 0.045 (4) 0.056 (4) 0.000 (3) 0.002 (3) −0.015 (3)
C12A 0.079 (4) 0.061 (4) 0.061 (4) −0.012 (3) 0.000 (3) −0.029 (3)
C3B 0.063 (3) 0.045 (3) 0.042 (3) −0.003 (3) 0.004 (2) −0.007 (3)
C5B 0.058 (3) 0.045 (3) 0.054 (3) 0.001 (3) 0.004 (3) −0.011 (3)
C11A 0.068 (4) 0.063 (4) 0.062 (4) 0.002 (3) −0.022 (3) −0.019 (3)
C1B 0.067 (4) 0.072 (5) 0.062 (4) −0.012 (3) 0.019 (3) −0.021 (3)
O1W 0.103 (5) 0.189 (8) 0.132 (6) 0.013 (5) −0.021 (4) −0.095 (6)