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. 2022 Feb 8;78(Pt 3):306–312. doi: 10.1107/S2056989022000858
U11 U22 U33 U12 U13 U23
S1 0.0133 (18) 0.0105 (13) 0.0159 (17) −0.0021 (19) 0.0057 (14) 0.0003 (19)
O2 0.0243 (15) 0.0152 (12) 0.0352 (19) 0.0063 (10) 0.0144 (14) 0.0017 (11)
O3 0.0179 (15) 0.0440 (19) 0.0327 (19) 0.0028 (15) 0.0008 (13) 0.0059 (15)
H3 0.026 (3) 0.044 (3) 0.062 (7) −0.005 (3) 0.008 (4) −0.004 (4)
O4 0.0238 (17) 0.0403 (18) 0.0245 (17) −0.0039 (14) 0.0041 (13) 0.0119 (14)
O5 0.0147 (11) 0.0363 (12) 0.0188 (10) 0.0019 (14) 0.0036 (9) 0.0011 (15)
O6 0.0337 (15) 0.0270 (11) 0.0179 (10) −0.0006 (15) 0.0128 (10) −0.0003 (13)
O7 0.0252 (17) 0.0418 (18) 0.0253 (16) 0.0043 (14) 0.0067 (14) −0.0111 (15)
O9 0.0142 (12) 0.0517 (19) 0.0287 (14) 0.0003 (16) 0.0067 (11) −0.0028 (18)
H9 0.021 (2) 0.050 (3) 0.039 (3) 0.002 (3) 0.010 (2) −0.004 (3)
O10 0.0309 (19) 0.071 (3) 0.0268 (16) 0.005 (2) 0.0083 (14) −0.0069 (19)
O12 0.0276 (17) 0.0158 (12) 0.035 (2) −0.0072 (11) 0.0113 (15) 0.0001 (11)
O15 0.0222 (18) 0.064 (3) 0.038 (2) −0.0124 (19) 0.0085 (17) −0.014 (2)
H15 0.026 (3) 0.044 (3) 0.062 (7) −0.005 (3) 0.008 (4) −0.004 (4)
N11 0.0176 (10) 0.0485 (18) 0.0314 (11) −0.0062 (11) 0.0119 (9) −0.0033 (12)
H11A 0.038 (4) 0.075 (6) 0.048 (5) −0.017 (4) 0.020 (4) −0.024 (5)
H11B 0.046 (5) 0.088 (9) 0.048 (5) −0.009 (6) 0.013 (4) 0.023 (6)
H11C 0.028 (4) 0.059 (5) 0.061 (6) −0.006 (3) 0.023 (4) −0.011 (4)
N11B 0.0176 (10) 0.0485 (18) 0.0314 (11) −0.0062 (11) 0.0119 (9) −0.0033 (12)
H11D 0.038 (4) 0.075 (6) 0.048 (5) −0.017 (4) 0.020 (4) −0.024 (5)
H11E 0.046 (5) 0.088 (9) 0.048 (5) −0.009 (6) 0.013 (4) 0.023 (6)
H11F 0.028 (4) 0.059 (5) 0.061 (6) −0.006 (3) 0.023 (4) −0.011 (4)
N16 0.0269 (10) 0.0201 (8) 0.0179 (8) 0.0037 (7) 0.0033 (7) −0.0019 (6)
H16A 0.039 (4) 0.063 (5) 0.033 (4) −0.012 (4) 0.011 (3) 0.002 (3)
H16B 0.057 (5) 0.044 (4) 0.042 (4) 0.025 (4) −0.003 (4) −0.010 (3)
H16C 0.056 (5) 0.035 (3) 0.028 (3) −0.004 (3) 0.008 (3) −0.010 (2)
N21 0.0244 (9) 0.0214 (8) 0.0160 (8) −0.0029 (7) 0.0016 (7) 0.0036 (6)
H21A 0.040 (4) 0.069 (5) 0.036 (4) 0.015 (4) 0.011 (3) −0.003 (3)
H21B 0.063 (6) 0.042 (3) 0.026 (3) 0.003 (3) 0.007 (3) 0.010 (3)
H21C 0.057 (5) 0.045 (4) 0.041 (4) −0.026 (4) −0.001 (4) 0.009 (3)
C13 0.0177 (11) 0.0186 (10) 0.0218 (12) 0.0014 (9) 0.0032 (9) 0.0032 (8)
C14 0.0267 (14) 0.0270 (12) 0.0251 (13) −0.0012 (10) 0.0113 (11) −0.0067 (10)
H14A 0.045 (5) 0.053 (4) 0.069 (7) 0.017 (4) 0.005 (4) −0.027 (4)
H14B 0.072 (7) 0.089 (7) 0.044 (5) −0.028 (6) 0.034 (5) −0.003 (4)
C17 0.0143 (10) 0.0276 (10) 0.0324 (12) −0.0007 (11) 0.0048 (9) −0.0031 (12)
H17A 0.040 (4) 0.095 (7) 0.046 (4) 0.031 (5) 0.010 (4) 0.010 (5)
H17B 0.058 (6) 0.045 (4) 0.126 (11) −0.024 (4) 0.045 (7) −0.032 (6)
C18 0.0217 (12) 0.0226 (12) 0.0244 (13) −0.0026 (9) 0.0077 (10) −0.0035 (9)
C19 0.0170 (10) 0.0243 (11) 0.0246 (11) 0.0021 (9) 0.0068 (8) −0.0007 (9)
C20 0.0215 (13) 0.0312 (13) 0.0245 (14) −0.0011 (11) 0.0078 (11) 0.0060 (10)
H20A 0.060 (6) 0.118 (10) 0.049 (6) 0.035 (7) 0.028 (5) −0.001 (6)
H20B 0.055 (6) 0.064 (5) 0.059 (6) −0.031 (5) −0.003 (4) 0.029 (4)