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. 2015 May 13;71(Pt 6):609–617. doi: 10.1107/S2056989015008233
U11 U22 U33 U12 U13 U23
N11 0.0385 (15) 0.0228 (13) 0.0289 (13) 0.0008 (12) −0.0018 (12) 0.0024 (11)
C12 0.0348 (17) 0.0208 (15) 0.0324 (16) 0.0002 (14) −0.0029 (14) −0.0009 (13)
Cl12 0.0731 (6) 0.0208 (4) 0.0351 (4) −0.0022 (4) −0.0056 (4) −0.0023 (3)
C13 0.0278 (15) 0.0240 (16) 0.0286 (16) 0.0016 (13) −0.0003 (13) 0.0023 (12)
C14 0.0306 (16) 0.0225 (16) 0.0315 (16) −0.0009 (13) −0.0002 (14) 0.0040 (13)
C14A 0.0254 (15) 0.0247 (16) 0.0345 (17) −0.0018 (13) −0.0005 (13) −0.0019 (13)
C15 0.0321 (17) 0.0271 (17) 0.0404 (19) 0.0011 (14) 0.0004 (15) −0.0037 (14)
C16 0.0306 (17) 0.040 (2) 0.039 (2) −0.0001 (16) −0.0027 (15) −0.0103 (16)
C17 0.0402 (19) 0.048 (2) 0.0259 (16) −0.0039 (18) −0.0017 (15) −0.0029 (15)
C18 0.0391 (19) 0.0345 (18) 0.0309 (17) −0.0009 (16) −0.0023 (15) 0.0030 (15)
C18A 0.0266 (16) 0.0276 (16) 0.0329 (17) −0.0010 (13) −0.0019 (13) 0.0001 (14)
C137 0.0413 (18) 0.0206 (15) 0.0287 (16) 0.0009 (14) −0.0029 (14) 0.0027 (13)
O131 0.0548 (15) 0.0209 (11) 0.0282 (12) 0.0041 (11) −0.0016 (11) 0.0038 (9)
C131 0.0296 (16) 0.0256 (16) 0.0279 (16) 0.0039 (13) 0.0008 (13) 0.0048 (13)
C132 0.0284 (16) 0.0270 (17) 0.0298 (17) 0.0045 (14) 0.0011 (13) 0.0042 (13)
C133 0.0373 (18) 0.0323 (18) 0.0316 (18) 0.0075 (15) 0.0034 (15) 0.0107 (14)
C134 0.049 (2) 0.046 (2) 0.0266 (17) 0.0104 (19) 0.0010 (16) 0.0043 (16)
C135 0.049 (2) 0.0355 (19) 0.0326 (18) 0.0083 (17) −0.0029 (16) −0.0056 (15)
C136 0.044 (2) 0.0251 (17) 0.0359 (18) 0.0066 (15) 0.0004 (15) −0.0002 (14)
C138 0.0357 (18) 0.0251 (17) 0.0345 (17) 0.0045 (14) −0.0010 (14) 0.0045 (14)
O138 0.108 (3) 0.0250 (14) 0.0440 (16) 0.0015 (16) −0.0068 (17) 0.0038 (12)
O139 0.0511 (15) 0.0257 (12) 0.0318 (12) −0.0007 (11) −0.0024 (11) −0.0004 (10)
C139 0.053 (2) 0.0323 (19) 0.0382 (19) −0.0024 (18) −0.0049 (17) −0.0082 (16)
C161 0.054 (2) 0.049 (2) 0.044 (2) 0.003 (2) 0.0007 (19) −0.0149 (19)
N21 0.0440 (17) 0.0262 (15) 0.0332 (15) 0.0035 (13) −0.0030 (13) −0.0036 (12)
C22 0.0377 (18) 0.0238 (16) 0.0318 (17) 0.0025 (14) −0.0026 (13) 0.0006 (14)
Cl22 0.0791 (7) 0.0235 (4) 0.0363 (4) 0.0029 (4) −0.0059 (4) 0.0019 (4)
C23 0.0307 (16) 0.0286 (17) 0.0297 (17) 0.0046 (14) −0.0027 (13) −0.0045 (14)
C24 0.0332 (17) 0.0237 (16) 0.0366 (19) 0.0004 (14) −0.0022 (14) −0.0045 (14)
C24A 0.0281 (16) 0.0295 (17) 0.0330 (18) −0.0005 (14) −0.0010 (14) −0.0025 (14)
C25 0.0371 (19) 0.0314 (18) 0.039 (2) −0.0024 (15) −0.0011 (15) 0.0001 (15)
C26 0.040 (2) 0.045 (2) 0.037 (2) −0.0038 (17) −0.0008 (16) 0.0092 (17)
C27 0.046 (2) 0.054 (2) 0.0295 (18) −0.0019 (19) −0.0019 (16) −0.0007 (17)
C28 0.048 (2) 0.039 (2) 0.0296 (18) 0.0000 (17) −0.0002 (16) −0.0060 (15)
C28A 0.0322 (17) 0.0314 (18) 0.0359 (18) 0.0022 (15) −0.0013 (14) −0.0021 (15)
C237 0.0403 (19) 0.0230 (16) 0.0328 (18) 0.0032 (14) −0.0021 (14) −0.0036 (14)
O231 0.0597 (16) 0.0244 (12) 0.0285 (13) −0.0032 (11) 0.0045 (11) −0.0034 (10)
C231 0.0297 (16) 0.0290 (17) 0.0316 (18) −0.0023 (14) −0.0020 (13) −0.0035 (13)
C232 0.0286 (16) 0.0276 (17) 0.0321 (17) −0.0028 (14) −0.0032 (13) −0.0032 (14)
C233 0.042 (2) 0.0306 (18) 0.0378 (19) −0.0064 (16) −0.0020 (16) −0.0099 (15)
C234 0.048 (2) 0.043 (2) 0.0268 (18) −0.0062 (18) −0.0065 (15) −0.0023 (16)
C235 0.041 (2) 0.040 (2) 0.0338 (19) 0.0003 (16) −0.0053 (15) 0.0082 (16)
C236 0.0348 (18) 0.0275 (17) 0.0368 (19) 0.0012 (14) −0.0039 (15) 0.0011 (14)
C238 0.0301 (16) 0.0297 (18) 0.039 (2) −0.0025 (14) 0.0013 (14) −0.0053 (15)
O238 0.088 (2) 0.0271 (14) 0.0490 (17) −0.0156 (14) −0.0052 (15) −0.0007 (13)
O239 0.0632 (18) 0.0287 (13) 0.0330 (13) 0.0012 (12) −0.0076 (12) 0.0028 (11)
C239 0.065 (3) 0.036 (2) 0.045 (2) 0.0049 (19) −0.0081 (19) 0.0128 (18)
C261 0.061 (3) 0.049 (3) 0.048 (2) −0.005 (2) 0.001 (2) 0.015 (2)
N31 0.0335 (14) 0.0237 (14) 0.0274 (13) −0.0006 (12) −0.0016 (11) 0.0024 (11)
C32 0.0324 (16) 0.0188 (15) 0.0302 (16) −0.0016 (13) −0.0026 (14) −0.0014 (13)
Cl32 0.0723 (6) 0.0187 (4) 0.0299 (4) −0.0005 (4) −0.0027 (4) −0.0015 (3)
C33 0.0249 (14) 0.0211 (15) 0.0300 (16) 0.0011 (12) 0.0012 (13) 0.0023 (13)
C34 0.0304 (16) 0.0203 (15) 0.0308 (16) 0.0017 (13) 0.0005 (14) 0.0026 (12)
C34A 0.0262 (16) 0.0268 (17) 0.0300 (17) 0.0016 (13) −0.0013 (13) −0.0033 (13)
C35 0.0377 (18) 0.0281 (17) 0.0377 (19) 0.0022 (15) −0.0022 (15) −0.0068 (15)
C36 0.0371 (19) 0.043 (2) 0.0364 (19) 0.0025 (17) −0.0052 (15) −0.0114 (16)
C37 0.042 (2) 0.053 (2) 0.0261 (17) 0.0016 (18) −0.0019 (16) −0.0059 (16)
C38 0.0412 (19) 0.039 (2) 0.0270 (17) 0.0004 (17) −0.0025 (15) 0.0027 (15)
C38A 0.0277 (16) 0.0291 (17) 0.0268 (16) −0.0011 (13) −0.0015 (13) 0.0023 (13)
C337 0.0336 (16) 0.0178 (14) 0.0268 (16) 0.0008 (13) 0.0005 (13) 0.0026 (12)
O331 0.0517 (14) 0.0184 (11) 0.0251 (11) −0.0017 (11) 0.0010 (11) 0.0016 (9)
C331 0.0296 (15) 0.0244 (16) 0.0254 (15) −0.0011 (13) −0.0001 (13) 0.0033 (12)
C332 0.0324 (17) 0.0255 (16) 0.0319 (17) 0.0009 (14) −0.0019 (14) 0.0021 (13)
C333 0.045 (2) 0.0304 (18) 0.0345 (18) 0.0046 (16) −0.0043 (16) 0.0113 (14)
C334 0.055 (2) 0.045 (2) 0.0244 (16) 0.007 (2) −0.0042 (16) 0.0058 (16)
C335 0.045 (2) 0.038 (2) 0.0295 (17) 0.0029 (17) −0.0036 (16) −0.0040 (15)
C336 0.0418 (19) 0.0226 (16) 0.0304 (17) −0.0010 (15) 0.0016 (15) 0.0016 (13)
C338 0.0391 (19) 0.0221 (16) 0.0406 (18) 0.0006 (15) −0.0016 (15) 0.0046 (14)
O338 0.087 (2) 0.0234 (14) 0.0528 (17) 0.0118 (14) −0.0069 (16) 0.0045 (12)
O339 0.0746 (19) 0.0206 (12) 0.0338 (13) 0.0021 (12) −0.0089 (13) −0.0035 (10)
C339 0.100 (4) 0.028 (2) 0.047 (2) 0.004 (2) −0.007 (2) −0.0121 (18)
C361 0.057 (3) 0.054 (3) 0.045 (2) 0.003 (2) −0.003 (2) −0.023 (2)
N41 0.0366 (16) 0.0262 (14) 0.0308 (14) −0.0005 (12) −0.0009 (12) −0.0026 (12)
C42 0.0324 (17) 0.0205 (15) 0.0298 (16) −0.0022 (13) −0.0016 (13) 0.0015 (13)
Cl42 0.0676 (6) 0.0203 (4) 0.0306 (4) −0.0046 (4) −0.0026 (4) 0.0015 (3)
C43 0.0280 (16) 0.0233 (16) 0.0281 (16) −0.0012 (13) −0.0007 (13) 0.0007 (13)
C44 0.0307 (16) 0.0229 (16) 0.0313 (17) 0.0003 (13) −0.0012 (13) −0.0051 (13)
C44A 0.0241 (16) 0.0280 (17) 0.0314 (17) 0.0011 (13) −0.0001 (13) 0.0028 (14)
C45 0.0330 (18) 0.0291 (18) 0.039 (2) 0.0034 (15) −0.0007 (15) 0.0065 (15)
C46 0.0259 (17) 0.047 (2) 0.039 (2) 0.0050 (16) −0.0011 (15) 0.0125 (17)
C47 0.040 (2) 0.052 (2) 0.0260 (17) 0.0009 (17) −0.0003 (15) 0.0090 (16)
C48 0.041 (2) 0.039 (2) 0.0312 (18) 0.0008 (16) −0.0028 (15) −0.0050 (16)
C48A 0.0274 (16) 0.0318 (17) 0.0260 (16) −0.0013 (13) 0.0010 (12) 0.0002 (14)
C437 0.0382 (18) 0.0207 (15) 0.0270 (16) 0.0016 (14) 0.0001 (13) −0.0025 (13)
O431 0.0513 (15) 0.0210 (12) 0.0278 (12) 0.0010 (11) −0.0005 (11) −0.0040 (9)
C431 0.0322 (17) 0.0278 (17) 0.0282 (16) 0.0004 (14) 0.0012 (13) −0.0039 (13)
C432 0.0329 (18) 0.0305 (18) 0.0307 (17) −0.0020 (14) 0.0026 (13) −0.0029 (14)
C433 0.049 (2) 0.0322 (18) 0.0356 (19) −0.0055 (16) 0.0025 (16) −0.0107 (16)
C434 0.061 (3) 0.048 (2) 0.0262 (18) −0.004 (2) 0.0002 (17) −0.0078 (16)
C435 0.056 (2) 0.041 (2) 0.0294 (19) 0.0004 (19) 0.0032 (17) 0.0040 (16)
C436 0.043 (2) 0.0286 (17) 0.0338 (19) −0.0036 (16) 0.0031 (15) −0.0020 (15)
C438 0.0402 (19) 0.0263 (18) 0.0376 (19) 0.0000 (15) −0.0007 (14) −0.0065 (14)
O438 0.092 (2) 0.0269 (14) 0.0488 (17) −0.0053 (15) −0.0008 (15) −0.0079 (13)
O439 0.0629 (17) 0.0251 (12) 0.0332 (13) −0.0066 (11) −0.0010 (12) 0.0014 (10)
C439 0.078 (3) 0.0304 (19) 0.042 (2) −0.007 (2) −0.002 (2) 0.0069 (17)
C461 0.046 (2) 0.059 (3) 0.045 (2) 0.007 (2) −0.0015 (19) 0.026 (2)