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. 2022 Jun 10;78(Pt 7):703–708. doi: 10.1107/S2056989022005710
U11 U22 U33 U12 U13 U23
O1 0.052 (2) 0.056 (2) 0.0267 (19) 0.0025 (19) 0.0058 (17) −0.0110 (15)
O2 0.045 (2) 0.058 (2) 0.0280 (19) 0.0043 (17) 0.0083 (16) −0.0063 (15)
O3 0.037 (2) 0.066 (2) 0.0312 (19) 0.0086 (18) 0.0079 (16) −0.0030 (17)
N1 0.044 (2) 0.049 (3) 0.029 (2) 0.006 (2) 0.0054 (19) 0.0002 (19)
C1 0.031 (3) 0.041 (3) 0.038 (3) −0.006 (2) 0.008 (2) 0.003 (2)
C2 0.044 (3) 0.057 (3) 0.055 (4) −0.015 (3) 0.021 (3) 0.001 (3)
C3 0.050 (3) 0.069 (4) 0.048 (3) −0.011 (3) 0.023 (3) 0.018 (3)
C4 0.048 (3) 0.060 (3) 0.031 (3) −0.003 (3) 0.015 (2) 0.006 (2)
C5 0.031 (3) 0.050 (3) 0.026 (2) −0.009 (2) 0.007 (2) −0.008 (2)
C6 0.035 (3) 0.053 (3) 0.044 (3) −0.019 (3) 0.015 (2) −0.009 (2)
C7 0.044 (3) 0.050 (3) 0.039 (3) −0.012 (2) 0.020 (2) 0.001 (2)
C8 0.037 (3) 0.046 (3) 0.027 (2) −0.004 (2) 0.014 (2) −0.003 (2)
C9 0.029 (2) 0.040 (3) 0.029 (2) −0.001 (2) 0.0097 (19) −0.002 (2)
C10 0.032 (2) 0.049 (3) 0.022 (2) 0.000 (2) 0.0062 (19) −0.001 (2)
C11 0.031 (2) 0.042 (3) 0.032 (2) −0.002 (2) 0.012 (2) 0.006 (2)
C12 0.028 (2) 0.038 (2) 0.030 (2) −0.0012 (19) 0.0099 (19) 0.0026 (19)
C13 0.029 (2) 0.033 (2) 0.025 (2) 0.0011 (18) 0.0104 (19) −0.0022 (18)
C14 0.026 (2) 0.043 (3) 0.029 (2) −0.001 (2) 0.0112 (19) −0.005 (2)
C15 0.037 (3) 0.035 (3) 0.024 (2) −0.007 (2) 0.011 (2) −0.0030 (19)
C16 0.033 (2) 0.043 (3) 0.023 (2) −0.006 (2) 0.0047 (19) −0.004 (2)
C17 0.038 (3) 0.047 (3) 0.026 (2) −0.005 (2) 0.004 (2) −0.004 (2)
C18 0.053 (3) 0.073 (4) 0.019 (2) 0.000 (3) −0.001 (2) −0.007 (2)
C19 0.041 (3) 0.048 (3) 0.028 (3) −0.008 (2) 0.011 (2) −0.003 (2)
C20 0.051 (3) 0.060 (4) 0.045 (3) 0.010 (3) 0.021 (3) 0.002 (3)
C21 0.049 (3) 0.069 (4) 0.050 (4) 0.009 (3) 0.014 (3) 0.009 (3)
O4 0.100 (19) 0.068 (6) 0.035 (2) 0.004 (14) 0.015 (12) −0.010 (3)
O5 0.031 (6) 0.118 (10) 0.044 (3) 0.013 (5) 0.007 (4) 0.017 (5)
N2 0.037 (10) 0.044 (15) 0.025 (7) 0.008 (10) 0.003 (7) 0.018 (9)
O4A 0.100 (19) 0.068 (6) 0.035 (2) 0.004 (14) 0.015 (12) −0.010 (3)
O5A 0.031 (6) 0.118 (10) 0.044 (3) 0.013 (5) 0.007 (4) 0.017 (5)
N2A 0.037 (10) 0.044 (15) 0.025 (7) 0.008 (10) 0.003 (7) 0.018 (9)
O6 0.065 (3) 0.058 (2) 0.031 (2) −0.017 (2) 0.0094 (19) 0.0037 (16)
O7 0.047 (2) 0.052 (2) 0.0246 (17) 0.0098 (17) 0.0108 (15) 0.0032 (14)
O8 0.050 (2) 0.0442 (19) 0.0293 (18) −0.0018 (17) 0.0132 (16) −0.0044 (15)
N3 0.063 (3) 0.058 (3) 0.034 (2) −0.016 (2) 0.008 (2) −0.003 (2)
N4 0.052 (3) 0.050 (3) 0.032 (2) −0.015 (2) 0.003 (2) −0.006 (2)
C22 0.045 (3) 0.056 (3) 0.038 (3) 0.005 (3) 0.005 (2) 0.002 (3)
C23 0.055 (4) 0.053 (3) 0.057 (4) 0.017 (3) 0.010 (3) 0.003 (3)
C24 0.064 (4) 0.045 (3) 0.060 (4) 0.014 (3) 0.024 (3) −0.002 (3)
C25 0.061 (4) 0.039 (3) 0.045 (3) −0.005 (3) 0.015 (3) −0.008 (2)
C26 0.041 (3) 0.059 (3) 0.030 (3) 0.002 (3) 0.004 (2) 0.014 (2)
C27 0.047 (3) 0.085 (5) 0.058 (4) 0.024 (3) 0.016 (3) 0.016 (3)
C28 0.058 (4) 0.085 (5) 0.047 (3) 0.026 (3) 0.021 (3) 0.008 (3)
C29 0.044 (3) 0.067 (4) 0.032 (3) 0.007 (3) 0.014 (2) 0.007 (3)
C30 0.045 (3) 0.041 (3) 0.029 (3) −0.004 (2) 0.010 (2) 0.000 (2)
C31 0.042 (3) 0.037 (2) 0.023 (2) −0.008 (2) 0.007 (2) −0.0019 (19)
C32 0.042 (3) 0.033 (2) 0.034 (3) −0.005 (2) 0.012 (2) −0.001 (2)
C33 0.041 (3) 0.038 (3) 0.030 (3) −0.003 (2) 0.004 (2) −0.003 (2)
C34 0.035 (3) 0.037 (2) 0.027 (2) −0.006 (2) 0.007 (2) 0.0038 (19)
C35 0.035 (3) 0.040 (3) 0.028 (2) −0.009 (2) 0.005 (2) 0.005 (2)
C36 0.048 (3) 0.041 (3) 0.025 (2) 0.004 (2) 0.006 (2) 0.006 (2)
C37 0.039 (3) 0.039 (3) 0.023 (2) 0.005 (2) 0.003 (2) −0.0026 (19)
C38 0.043 (3) 0.043 (3) 0.032 (3) −0.002 (2) 0.006 (2) 0.002 (2)
C39 0.052 (3) 0.056 (3) 0.028 (3) −0.007 (3) 0.009 (2) −0.002 (2)
C40 0.038 (3) 0.035 (3) 0.034 (3) 0.010 (2) 0.012 (2) −0.002 (2)
C41 0.051 (3) 0.057 (3) 0.042 (3) −0.004 (3) 0.024 (3) −0.001 (2)
C42 0.050 (3) 0.066 (4) 0.054 (4) −0.002 (3) 0.023 (3) −0.010 (3)
O9 0.093 (9) 0.100 (9) 0.038 (4) −0.031 (8) 0.032 (5) −0.006 (4)
O10 0.065 (7) 0.104 (8) 0.044 (4) −0.036 (7) 0.008 (5) −0.009 (5)
O9A 0.100 (16) 0.045 (7) 0.032 (6) 0.009 (7) 0.023 (7) 0.007 (5)
O10A 0.048 (10) 0.047 (8) 0.048 (7) −0.023 (7) 0.003 (7) −0.014 (5)