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. 2022 Feb 3;78(Pt 3):264–269. doi: 10.1107/S2056989022001037
U11 U22 U33 U12 U13 U23
Co1 0.0194 (2) 0.0162 (2) 0.0148 (2) −0.00317 (15) −0.00286 (15) −0.00303 (15)
Co2 0.0223 (2) 0.0144 (2) 0.0185 (2) 0.00176 (16) −0.00397 (16) −0.00022 (16)
N1 0.0246 (8) 0.0200 (7) 0.0189 (7) −0.0060 (6) −0.0018 (6) −0.0045 (6)
C1 0.0258 (9) 0.0193 (9) 0.0184 (9) −0.0004 (7) −0.0006 (7) −0.0029 (7)
S1 0.0345 (3) 0.0400 (3) 0.0532 (4) −0.0172 (2) 0.0012 (3) −0.0224 (3)
N2 0.0247 (8) 0.0206 (8) 0.0232 (8) 0.0042 (6) −0.0050 (6) −0.0025 (6)
C2 0.0267 (10) 0.0226 (9) 0.0199 (9) −0.0029 (8) −0.0031 (7) −0.0075 (7)
S2 0.0283 (3) 0.0407 (3) 0.0403 (3) 0.0136 (2) −0.0156 (2) −0.0217 (2)
O1 0.0244 (7) 0.0192 (6) 0.0222 (6) −0.0027 (5) −0.0082 (5) −0.0030 (5)
C3 0.0272 (10) 0.0309 (11) 0.0322 (11) −0.0013 (8) −0.0083 (8) −0.0091 (9)
C4 0.0190 (11) 0.0222 (12) 0.0184 (11) −0.0034 (10) −0.0006 (8) −0.0044 (10)
C4' 0.042 (7) 0.059 (10) 0.040 (7) −0.022 (7) −0.012 (6) 0.006 (7)
O2 0.0187 (17) 0.0192 (8) 0.0251 (10) 0.0002 (16) −0.0061 (15) −0.0012 (7)
O3 0.0245 (10) 0.0260 (9) 0.0324 (10) −0.0041 (7) −0.0003 (7) −0.0087 (7)
C5 0.0244 (13) 0.0246 (12) 0.0298 (13) −0.0041 (10) −0.0060 (10) −0.0004 (10)
C6 0.0291 (13) 0.0293 (13) 0.0308 (14) −0.0040 (11) −0.0050 (11) −0.0052 (11)
O4 0.0187 (17) 0.0192 (8) 0.0251 (10) 0.0002 (16) −0.0061 (15) −0.0012 (7)
C7 0.013 (5) 0.028 (5) 0.035 (5) 0.003 (4) 0.002 (4) −0.008 (4)
C8 0.032 (6) 0.024 (5) 0.028 (5) −0.001 (4) −0.006 (4) 0.007 (4)
N11 0.0173 (7) 0.0173 (7) 0.0149 (7) −0.0003 (6) −0.0035 (5) −0.0016 (6)
N12 0.0233 (8) 0.0198 (7) 0.0168 (7) 0.0004 (6) −0.0046 (6) −0.0051 (6)
N13 0.0207 (8) 0.0226 (8) 0.0175 (7) 0.0011 (6) −0.0057 (6) −0.0060 (6)
N14 0.0203 (7) 0.0204 (8) 0.0154 (7) −0.0004 (6) −0.0030 (6) −0.0041 (6)
C11 0.0247 (9) 0.0165 (8) 0.0163 (8) −0.0009 (7) −0.0039 (7) −0.0033 (7)
C12 0.0204 (9) 0.0208 (9) 0.0152 (8) −0.0024 (7) −0.0023 (7) −0.0033 (7)
C13 0.0233 (9) 0.0225 (9) 0.0165 (8) 0.0017 (7) −0.0057 (7) −0.0022 (7)
C14 0.0227 (9) 0.0242 (9) 0.0214 (9) −0.0016 (7) −0.0064 (7) −0.0076 (7)
C15 0.0193 (9) 0.0237 (9) 0.0188 (9) 0.0012 (7) −0.0044 (7) −0.0067 (7)
C16 0.0194 (9) 0.0222 (9) 0.0199 (9) 0.0026 (7) −0.0042 (7) −0.0053 (7)
N21 0.0185 (7) 0.0153 (7) 0.0200 (7) −0.0003 (6) −0.0041 (6) −0.0004 (6)
N22 0.0226 (8) 0.0189 (7) 0.0209 (8) 0.0001 (6) −0.0060 (6) −0.0031 (6)
N23 0.0215 (8) 0.0212 (8) 0.0197 (8) −0.0026 (6) −0.0032 (6) −0.0024 (6)
N24 0.0226 (8) 0.0186 (7) 0.0198 (8) −0.0002 (6) −0.0033 (6) −0.0032 (6)
C21 0.0208 (9) 0.0192 (9) 0.0210 (9) −0.0024 (7) −0.0036 (7) −0.0023 (7)
C22 0.0197 (9) 0.0217 (9) 0.0232 (9) 0.0012 (7) −0.0032 (7) −0.0041 (7)
C23 0.0232 (9) 0.0202 (9) 0.0251 (9) −0.0020 (7) −0.0073 (7) −0.0041 (7)
C24 0.0192 (8) 0.0188 (8) 0.0210 (9) 0.0008 (7) −0.0044 (7) −0.0028 (7)
C25 0.0246 (9) 0.0154 (8) 0.0197 (9) −0.0004 (7) −0.0031 (7) −0.0014 (7)
C26 0.0239 (9) 0.0197 (9) 0.0196 (9) −0.0017 (7) −0.0049 (7) 0.0003 (7)
N31 0.0206 (8) 0.0206 (8) 0.0227 (8) −0.0029 (6) −0.0045 (6) −0.0032 (6)
N32 0.0251 (8) 0.0217 (8) 0.0312 (9) −0.0001 (7) −0.0056 (7) −0.0025 (7)
N33 0.0441 (11) 0.0273 (9) 0.0303 (9) −0.0127 (8) −0.0096 (8) −0.0056 (7)
N34 0.0246 (8) 0.0307 (9) 0.0258 (9) −0.0009 (7) −0.0019 (7) 0.0022 (7)
C31 0.0219 (9) 0.0241 (10) 0.0332 (11) −0.0022 (8) −0.0071 (8) −0.0027 (8)
C32 0.0431 (13) 0.0203 (10) 0.0345 (11) −0.0020 (9) −0.0035 (9) −0.0068 (8)
C33 0.0317 (11) 0.0337 (11) 0.0385 (12) −0.0148 (9) −0.0111 (9) 0.0056 (9)
C34 0.0277 (10) 0.0249 (10) 0.0251 (10) 0.0040 (8) −0.0026 (8) −0.0031 (8)
C35 0.0299 (11) 0.0288 (10) 0.0247 (10) 0.0005 (8) −0.0057 (8) 0.0007 (8)
C36 0.0343 (11) 0.0281 (10) 0.0221 (9) −0.0087 (8) −0.0045 (8) −0.0054 (8)
N41 0.0239 (8) 0.0223 (8) 0.0236 (8) −0.0054 (6) −0.0049 (6) 0.0000 (6)
N42 0.0301 (10) 0.0273 (9) 0.0417 (11) 0.0018 (7) 0.0013 (8) −0.0037 (8)
N43 0.0397 (11) 0.0287 (10) 0.0452 (11) −0.0112 (8) −0.0241 (9) 0.0100 (8)
N44 0.0273 (9) 0.0219 (8) 0.0310 (9) −0.0063 (7) −0.0025 (7) 0.0009 (7)
C41 0.0304 (11) 0.0307 (11) 0.0281 (10) −0.0011 (9) 0.0019 (8) −0.0010 (9)
C42 0.0240 (11) 0.0309 (12) 0.0623 (17) −0.0016 (9) −0.0088 (10) 0.0084 (11)
C43 0.0447 (13) 0.0295 (11) 0.0302 (11) −0.0087 (10) −0.0126 (10) 0.0075 (9)
C44 0.0246 (10) 0.0231 (9) 0.0276 (10) −0.0028 (8) −0.0034 (8) −0.0004 (8)
C45 0.0420 (13) 0.0243 (10) 0.0404 (12) −0.0122 (9) −0.0219 (10) 0.0056 (9)
C46 0.0343 (11) 0.0199 (10) 0.0434 (13) −0.0050 (8) −0.0042 (10) −0.0059 (9)