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. 2020 May 15;76(Pt 6):820–825. doi: 10.1107/S2056989020006155
U11 U22 U33 U12 U13 U23
C1 0.0169 (16) 0.0194 (16) 0.0221 (17) −0.0026 (13) 0.0010 (13) 0.0019 (13)
C2 0.0243 (18) 0.0256 (18) 0.0186 (17) −0.0002 (14) −0.0061 (14) 0.0014 (14)
C3 0.035 (2) 0.0201 (17) 0.0139 (16) −0.0022 (15) 0.0036 (14) −0.0006 (13)
C4 0.0212 (17) 0.0202 (17) 0.0207 (17) −0.0016 (13) 0.0079 (13) −0.0019 (13)
C5 0.0164 (16) 0.0140 (15) 0.0167 (16) 0.0006 (12) −0.0011 (12) −0.0003 (12)
C6 0.0187 (16) 0.0098 (14) 0.0154 (15) −0.0015 (12) 0.0020 (12) −0.0012 (12)
C7 0.0105 (14) 0.0151 (15) 0.0182 (16) 0.0031 (12) 0.0016 (12) 0.0011 (12)
C8 0.0193 (16) 0.0120 (15) 0.0184 (16) −0.0036 (12) 0.0022 (13) −0.0003 (12)
C9 0.0137 (15) 0.0145 (16) 0.0197 (16) 0.0020 (12) 0.0008 (12) −0.0023 (13)
C10 0.0191 (16) 0.0183 (16) 0.0167 (16) −0.0003 (13) 0.0025 (13) −0.0035 (13)
C11 0.0261 (18) 0.0197 (17) 0.0204 (17) 0.0034 (14) 0.0019 (14) −0.0033 (14)
C12 0.0258 (19) 0.034 (2) 0.0176 (17) 0.0021 (15) −0.0022 (14) −0.0024 (15)
C13 0.032 (2) 0.028 (2) 0.0238 (18) −0.0012 (16) −0.0025 (15) −0.0154 (15)
C14 0.032 (2) 0.0165 (17) 0.031 (2) 0.0015 (14) 0.0003 (16) −0.0069 (15)
C15 0.0210 (17) 0.0215 (17) 0.0201 (17) 0.0011 (14) −0.0025 (13) −0.0037 (14)
C16 0.0208 (17) 0.0191 (17) 0.0236 (17) −0.0019 (13) 0.0040 (14) 0.0001 (14)
C17 0.0236 (18) 0.0260 (18) 0.0217 (17) 0.0009 (14) −0.0023 (14) 0.0026 (14)
C18 0.036 (2) 0.0291 (19) 0.0136 (16) 0.0021 (16) 0.0011 (15) 0.0077 (14)
C19 0.0261 (18) 0.0240 (18) 0.0215 (17) −0.0026 (14) 0.0078 (14) 0.0052 (14)
C20 0.0217 (17) 0.0149 (16) 0.0204 (16) −0.0024 (13) 0.0000 (13) 0.0005 (13)
C21 0.0250 (17) 0.0112 (15) 0.0172 (16) −0.0025 (13) 0.0038 (13) 0.0002 (12)
C22 0.0173 (16) 0.0178 (16) 0.0188 (16) −0.0008 (13) 0.0044 (13) 0.0012 (13)
C23 0.0242 (17) 0.0163 (16) 0.0193 (16) −0.0065 (13) 0.0023 (13) 0.0008 (13)
C24 0.0163 (16) 0.0138 (15) 0.0226 (17) 0.0005 (12) 0.0058 (13) −0.0029 (13)
C25 0.0213 (17) 0.0112 (15) 0.0190 (16) −0.0029 (12) 0.0039 (13) 0.0016 (12)
C26 0.0209 (17) 0.0166 (16) 0.0243 (17) 0.0003 (13) 0.0060 (14) −0.0007 (13)
C27 0.033 (2) 0.0153 (16) 0.0167 (16) 0.0019 (14) 0.0044 (14) −0.0025 (13)
C28 0.0309 (19) 0.0133 (16) 0.0254 (18) −0.0023 (14) −0.0047 (15) −0.0032 (14)
C29 0.0193 (17) 0.0165 (16) 0.0287 (18) −0.0025 (13) 0.0033 (14) 0.0006 (14)
C30 0.0238 (17) 0.0137 (15) 0.0187 (16) 0.0000 (13) 0.0058 (13) −0.0002 (13)
Cu1 0.0160 (2) 0.01277 (19) 0.01372 (19) −0.00238 (14) 0.00286 (14) −0.00015 (15)
F1 0.0151 (10) 0.0467 (13) 0.0298 (11) −0.0041 (9) −0.0011 (8) 0.0100 (10)
F2 0.0266 (11) 0.0555 (15) 0.0250 (11) 0.0015 (10) −0.0108 (9) 0.0114 (10)
F3 0.0435 (13) 0.0369 (12) 0.0134 (9) 0.0006 (10) 0.0042 (9) 0.0057 (9)
F4 0.0260 (11) 0.0471 (13) 0.0263 (11) −0.0014 (10) 0.0118 (9) 0.0063 (10)
F5 0.0156 (9) 0.0345 (11) 0.0211 (10) 0.0014 (8) −0.0002 (8) 0.0049 (8)
F6 0.0462 (13) 0.0219 (11) 0.0243 (11) 0.0109 (9) −0.0097 (9) −0.0028 (8)
F7 0.0414 (13) 0.0422 (13) 0.0187 (10) 0.0043 (10) −0.0100 (9) −0.0043 (9)
F8 0.0543 (15) 0.0360 (13) 0.0294 (12) −0.0026 (11) −0.0068 (11) −0.0208 (10)
F9 0.0602 (16) 0.0167 (11) 0.0412 (13) 0.0042 (10) −0.0074 (11) −0.0109 (10)
F10 0.0333 (11) 0.0185 (10) 0.0253 (10) 0.0031 (8) −0.0076 (9) −0.0014 (8)
F11 0.0209 (10) 0.0467 (13) 0.0270 (11) −0.0044 (9) 0.0046 (9) 0.0059 (10)
F12 0.0258 (11) 0.0569 (15) 0.0278 (11) −0.0003 (10) −0.0077 (9) 0.0093 (11)
F13 0.0419 (14) 0.0681 (17) 0.0195 (11) −0.0015 (12) 0.0010 (10) 0.0185 (11)
F14 0.0329 (12) 0.0576 (15) 0.0250 (11) −0.0105 (11) 0.0098 (9) 0.0122 (10)
F15 0.0215 (10) 0.0346 (11) 0.0217 (10) −0.0065 (9) 0.0007 (8) 0.0056 (9)
F16 0.0272 (11) 0.0320 (11) 0.0280 (11) −0.0053 (9) 0.0137 (9) −0.0078 (9)
F17 0.0468 (13) 0.0271 (11) 0.0201 (10) −0.0019 (10) 0.0088 (9) −0.0092 (9)
F18 0.0379 (13) 0.0307 (12) 0.0301 (12) −0.0077 (10) −0.0080 (10) −0.0086 (9)
F19 0.0208 (11) 0.0341 (12) 0.0399 (13) −0.0107 (9) 0.0037 (9) −0.0027 (10)
F20 0.0252 (10) 0.0256 (10) 0.0208 (10) −0.0040 (8) 0.0100 (8) −0.0015 (8)
O1 0.0170 (11) 0.0142 (11) 0.0162 (11) −0.0026 (9) 0.0014 (9) 0.0004 (9)
O2 0.0213 (12) 0.0161 (11) 0.0150 (11) −0.0010 (9) 0.0035 (9) −0.0015 (9)
O3 0.0220 (12) 0.0165 (11) 0.0163 (11) −0.0056 (9) 0.0026 (9) 0.0000 (9)
O4 0.0182 (11) 0.0157 (11) 0.0154 (11) −0.0027 (9) 0.0051 (9) −0.0010 (9)
C31 0.0172 (16) 0.0221 (17) 0.0230 (17) 0.0004 (13) 0.0047 (13) 0.0009 (14)
C32 0.0159 (16) 0.0167 (16) 0.0194 (16) 0.0023 (13) 0.0016 (13) −0.0002 (13)
C33 0.0151 (15) 0.0193 (16) 0.0184 (16) 0.0038 (13) 0.0051 (13) 0.0018 (13)
C34 0.0166 (16) 0.0272 (18) 0.0217 (17) 0.0008 (14) 0.0043 (13) −0.0008 (14)
C35 0.0213 (17) 0.0259 (18) 0.0210 (17) −0.0008 (14) 0.0063 (14) −0.0072 (14)
C36 0.0200 (17) 0.0234 (17) 0.0172 (16) 0.0025 (13) 0.0018 (13) −0.0010 (13)
O5 0.0159 (11) 0.0301 (13) 0.0200 (12) −0.0033 (10) 0.0037 (9) −0.0073 (10)
O6 0.0147 (11) 0.0276 (13) 0.0172 (11) −0.0006 (9) 0.0046 (9) −0.0011 (10)
S1 0.0212 (4) 0.0292 (5) 0.0160 (4) 0.0024 (3) 0.0019 (3) −0.0007 (3)
C37A 0.100 (5) 0.031 (3) 0.083 (4) 0.006 (3) −0.075 (4) −0.007 (3)
C38A 0.093 (5) 0.028 (3) 0.057 (4) −0.002 (3) −0.042 (4) −0.001 (3)
C39A 0.066 (4) 0.029 (3) 0.046 (4) 0.007 (3) −0.024 (3) −0.008 (3)
C40A 0.069 (5) 0.044 (4) 0.086 (5) 0.013 (4) −0.022 (4) −0.036 (4)
C41A 0.109 (5) 0.072 (4) 0.042 (4) −0.027 (4) −0.003 (4) 0.008 (3)
C42A 0.076 (4) 0.054 (4) 0.033 (3) −0.014 (3) −0.010 (3) 0.011 (3)
O7A 0.129 (4) 0.057 (3) 0.036 (3) −0.016 (3) −0.035 (3) 0.015 (2)
O8A 0.056 (4) 0.047 (3) 0.030 (3) −0.003 (3) −0.013 (3) 0.006 (2)
S2A 0.0765 (18) 0.0582 (14) 0.127 (2) 0.0261 (12) −0.0414 (16) −0.0615 (15)
C37B 0.033 (5) 0.028 (5) 0.017 (4) 0.013 (4) −0.001 (4) −0.006 (4)
C38B 0.026 (5) 0.031 (5) 0.027 (5) 0.001 (4) 0.016 (4) −0.007 (4)
C39B 0.027 (4) 0.027 (4) 0.024 (5) 0.004 (4) 0.006 (4) 0.000 (4)
C40B 0.036 (5) 0.025 (5) 0.038 (5) −0.001 (4) 0.002 (4) 0.001 (4)
C41B 0.050 (6) 0.054 (6) 0.033 (5) −0.014 (5) 0.022 (5) −0.009 (5)
C42B 0.061 (6) 0.049 (5) 0.034 (5) −0.014 (5) 0.004 (5) 0.001 (5)
O7B 0.025 (4) 0.064 (5) 0.048 (4) −0.018 (4) 0.033 (4) −0.028 (4)
O8B 0.041 (6) 0.035 (5) 0.024 (5) −0.002 (4) −0.006 (5) 0.000 (4)
S2B 0.070 (3) 0.031 (2) 0.0374 (19) −0.0014 (16) 0.0282 (17) 0.0000 (15)
C43 0.067 (3) 0.048 (3) 0.045 (3) −0.010 (2) 0.017 (2) −0.005 (2)
C44 0.031 (2) 0.036 (2) 0.030 (2) −0.0056 (17) 0.0020 (16) 0.0027 (17)
C45 0.026 (2) 0.053 (3) 0.028 (2) 0.0078 (18) 0.0036 (16) 0.0055 (18)
C46 0.054 (3) 0.107 (5) 0.025 (2) 0.047 (3) 0.000 (2) 0.000 (2)
C47 0.0203 (18) 0.048 (2) 0.0249 (19) −0.0103 (16) 0.0036 (15) −0.0028 (17)
C48 0.054 (3) 0.027 (2) 0.026 (2) −0.0040 (18) −0.0025 (18) 0.0016 (16)
O9 0.0491 (18) 0.0391 (16) 0.0335 (15) 0.0116 (14) 0.0009 (13) 0.0044 (13)
O10 0.058 (2) 0.0410 (17) 0.0328 (16) 0.0137 (15) 0.0037 (14) 0.0049 (13)
S3 0.0512 (8) 0.1075 (12) 0.0347 (6) 0.0080 (7) −0.0008 (5) −0.0211 (7)