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. 2013 Sep 21;69(Pt 10):o1572–o1573. doi: 10.1107/S1600536813025646
U11 U22 U33 U12 U13 U23
O1A 0.0449 (8) 0.0491 (9) 0.0694 (10) 0.0187 (7) 0.0076 (7) 0.0317 (8)
O2A 0.0382 (7) 0.0381 (7) 0.0701 (10) 0.0121 (6) 0.0267 (7) 0.0157 (7)
O3A 0.0234 (6) 0.0277 (6) 0.0385 (7) 0.0032 (4) 0.0086 (5) 0.0102 (5)
O4A 0.0497 (8) 0.0259 (7) 0.0754 (10) −0.0009 (6) 0.0289 (7) 0.0023 (6)
O5A 0.0416 (8) 0.0411 (8) 0.1072 (14) 0.0184 (7) −0.0008 (8) 0.0171 (9)
O6A 0.0233 (6) 0.0594 (9) 0.0435 (7) 0.0038 (6) 0.0105 (5) 0.0068 (6)
O7A 0.0383 (7) 0.0441 (8) 0.0531 (8) −0.0064 (6) 0.0156 (6) 0.0134 (6)
N1A 0.0243 (7) 0.0262 (7) 0.0490 (9) 0.0023 (6) 0.0077 (6) 0.0102 (6)
N2A 0.0376 (8) 0.0271 (7) 0.0323 (8) 0.0070 (6) 0.0076 (6) 0.0011 (6)
N3A 0.0255 (7) 0.0429 (9) 0.0275 (7) −0.0041 (6) 0.0058 (6) 0.0023 (6)
C1A 0.0260 (8) 0.0261 (8) 0.0257 (8) −0.0018 (6) 0.0018 (6) 0.0033 (6)
C2A 0.0202 (7) 0.0255 (8) 0.0278 (8) 0.0017 (6) 0.0018 (6) 0.0035 (6)
C3A 0.0203 (7) 0.0244 (8) 0.0221 (7) −0.0002 (6) −0.0003 (6) 0.0012 (6)
C4A 0.0261 (8) 0.0250 (8) 0.0226 (7) 0.0023 (6) 0.0011 (6) 0.0014 (6)
C5A 0.0216 (8) 0.0341 (9) 0.0227 (8) 0.0043 (6) 0.0026 (6) −0.0016 (6)
C6A 0.0219 (8) 0.0336 (9) 0.0229 (8) −0.0027 (6) 0.0045 (6) −0.0003 (6)
O1B 0.0373 (7) 0.0221 (6) 0.0538 (8) −0.0069 (5) 0.0042 (6) 0.0045 (5)
O2B 0.0200 (6) 0.0304 (6) 0.0647 (9) −0.0008 (5) 0.0011 (5) −0.0070 (6)
O3B 0.0235 (5) 0.0231 (5) 0.0322 (6) −0.0030 (4) 0.0061 (4) −0.0062 (4)
O4B 0.0530 (8) 0.0236 (6) 0.0551 (8) −0.0036 (6) 0.0182 (7) −0.0002 (6)
O5B 0.0431 (8) 0.0511 (9) 0.0791 (11) −0.0284 (7) 0.0180 (8) −0.0235 (8)
O6B 0.0230 (6) 0.0589 (8) 0.0369 (7) 0.0004 (6) 0.0098 (5) −0.0014 (6)
O7B 0.0309 (6) 0.0438 (8) 0.0407 (7) 0.0103 (5) −0.0015 (5) −0.0134 (6)
N1B 0.0236 (7) 0.0428 (8) 0.0231 (7) 0.0060 (6) 0.0000 (5) −0.0044 (6)
N2B 0.0387 (8) 0.0298 (8) 0.0325 (8) −0.0143 (6) 0.0147 (6) −0.0058 (6)
N3B 0.0232 (7) 0.0208 (6) 0.0295 (7) −0.0022 (5) 0.0050 (5) −0.0039 (5)
C1B 0.0250 (8) 0.0230 (7) 0.0212 (7) 0.0012 (6) −0.0017 (6) −0.0012 (6)
C2B 0.0207 (7) 0.0349 (9) 0.0208 (7) 0.0031 (6) 0.0014 (6) −0.0009 (6)
C3B 0.0214 (7) 0.0341 (9) 0.0206 (7) −0.0067 (6) 0.0031 (6) 0.0010 (6)
C4B 0.0278 (8) 0.0252 (8) 0.0220 (7) −0.0067 (6) 0.0037 (6) −0.0015 (6)
C5B 0.0199 (7) 0.0226 (7) 0.0201 (7) −0.0010 (6) 0.0011 (5) 0.0007 (6)
C6B 0.0195 (7) 0.0222 (7) 0.0224 (7) −0.0029 (6) 0.0013 (6) 0.0006 (6)
O1C 0.0330 (7) 0.0508 (8) 0.0523 (8) 0.0039 (6) −0.0072 (6) 0.0256 (7)
O2C 0.0337 (7) 0.0504 (8) 0.0702 (10) 0.0179 (6) 0.0259 (7) 0.0294 (7)
O3C 0.0223 (5) 0.0256 (6) 0.0351 (6) 0.0003 (4) 0.0075 (5) 0.0091 (5)
O4C 0.0440 (7) 0.0218 (6) 0.0542 (8) 0.0026 (5) 0.0191 (6) 0.0055 (5)
O5C 0.0311 (7) 0.0484 (8) 0.0668 (10) 0.0159 (6) 0.0038 (6) 0.0232 (7)
O6C 0.0219 (6) 0.0472 (7) 0.0388 (7) −0.0020 (5) 0.0091 (5) 0.0035 (6)
O7C 0.0344 (7) 0.0417 (7) 0.0449 (7) −0.0061 (5) 0.0092 (6) 0.0163 (6)
N1C 0.0206 (7) 0.0277 (7) 0.0439 (8) −0.0014 (5) 0.0019 (6) 0.0150 (6)
N2C 0.0305 (8) 0.0259 (7) 0.0371 (8) 0.0084 (6) 0.0140 (6) 0.0057 (6)
N3C 0.0249 (7) 0.0363 (8) 0.0253 (7) −0.0066 (6) 0.0051 (5) 0.0024 (6)
C1C 0.0250 (8) 0.0239 (7) 0.0219 (7) −0.0031 (6) 0.0010 (6) 0.0031 (6)
C2C 0.0202 (7) 0.0249 (8) 0.0236 (7) −0.0009 (6) 0.0004 (6) 0.0019 (6)
C3C 0.0213 (7) 0.0227 (7) 0.0213 (7) −0.0017 (6) 0.0022 (6) 0.0017 (6)
C4C 0.0267 (8) 0.0215 (7) 0.0249 (8) 0.0021 (6) 0.0038 (6) 0.0015 (6)
C5C 0.0215 (7) 0.0290 (8) 0.0267 (8) 0.0024 (6) 0.0057 (6) −0.0011 (6)
C6C 0.0222 (8) 0.0288 (8) 0.0218 (7) −0.0051 (6) 0.0054 (6) 0.0000 (6)
O1D 0.0514 (9) 0.0660 (11) 0.1123 (15) −0.0325 (8) 0.0321 (10) −0.0561 (11)
O2D 0.0426 (8) 0.0415 (8) 0.0634 (10) −0.0059 (6) 0.0214 (7) −0.0024 (7)
O3D 0.0250 (6) 0.0276 (6) 0.0445 (7) −0.0016 (5) 0.0075 (5) −0.0118 (5)
O4D 0.0878 (13) 0.0257 (7) 0.1225 (16) −0.0057 (8) 0.0709 (12) −0.0080 (8)
O5D 0.038 (2) 0.045 (2) 0.141 (16) −0.0225 (16) 0.015 (4) −0.031 (5)
O5DA 0.045 (2) 0.035 (2) 0.075 (7) −0.0157 (16) 0.025 (3) −0.008 (3)
O6D 0.0262 (6) 0.0556 (8) 0.0445 (8) −0.0018 (6) 0.0111 (5) −0.0065 (6)
O7D 0.0333 (7) 0.0399 (7) 0.0446 (7) 0.0085 (5) 0.0031 (5) −0.0130 (6)
N1D 0.0243 (7) 0.0248 (7) 0.0523 (9) −0.0015 (5) 0.0087 (6) −0.0080 (6)
N2D 0.0384 (9) 0.0290 (8) 0.0369 (8) −0.0069 (6) 0.0062 (7) −0.0043 (6)
N3D 0.0245 (7) 0.0423 (9) 0.0260 (7) 0.0038 (6) 0.0007 (5) −0.0049 (6)
C1D 0.0253 (8) 0.0242 (8) 0.0280 (8) 0.0015 (6) −0.0001 (6) −0.0052 (6)
C2D 0.0211 (7) 0.0244 (8) 0.0283 (8) −0.0016 (6) 0.0015 (6) −0.0022 (6)
C3D 0.0211 (7) 0.0251 (8) 0.0246 (8) 0.0003 (6) −0.0004 (6) −0.0040 (6)
C4D 0.0271 (8) 0.0264 (8) 0.0238 (8) −0.0030 (6) 0.0000 (6) −0.0025 (6)
C5D 0.0220 (8) 0.0343 (9) 0.0252 (8) −0.0041 (6) 0.0025 (6) −0.0005 (6)
C6D 0.0227 (8) 0.0334 (9) 0.0237 (8) 0.0028 (6) 0.0020 (6) −0.0027 (6)
O1E 0.0381 (8) 0.0269 (7) 0.0914 (12) 0.0065 (5) 0.0036 (7) 0.0034 (7)
O2E 0.0224 (6) 0.0378 (7) 0.0552 (8) −0.0012 (5) −0.0018 (5) 0.0052 (6)
O3E 0.0225 (6) 0.0262 (6) 0.0341 (6) −0.0002 (4) 0.0068 (5) 0.0058 (5)
O4E 0.0464 (8) 0.0228 (6) 0.0692 (10) −0.0008 (6) 0.0221 (7) −0.0001 (6)
O5E 0.0317 (7) 0.0446 (8) 0.0922 (12) 0.0163 (6) 0.0089 (7) 0.0199 (8)
O6E 0.0254 (7) 0.0687 (9) 0.0358 (7) −0.0100 (6) 0.0100 (5) 0.0017 (6)
O7E 0.0402 (7) 0.0501 (8) 0.0457 (8) −0.0185 (6) −0.0040 (6) 0.0210 (7)
N1E 0.0236 (7) 0.0273 (7) 0.0315 (7) −0.0001 (5) 0.0020 (5) 0.0073 (6)
N2E 0.0322 (8) 0.0280 (7) 0.0449 (9) 0.0089 (6) 0.0164 (7) 0.0009 (6)
N3E 0.0282 (8) 0.0489 (9) 0.0234 (7) −0.0141 (6) −0.0014 (6) 0.0073 (6)
C1E 0.0277 (8) 0.0277 (8) 0.0222 (8) −0.0055 (6) −0.0019 (6) 0.0045 (6)
C2E 0.0203 (7) 0.0263 (8) 0.0240 (7) −0.0010 (6) 0.0003 (6) 0.0008 (6)
C3E 0.0219 (7) 0.0227 (7) 0.0219 (7) −0.0018 (6) 0.0022 (6) −0.0019 (6)
C4E 0.0247 (8) 0.0240 (8) 0.0266 (8) 0.0001 (6) 0.0060 (6) −0.0009 (6)
C5E 0.0208 (7) 0.0341 (9) 0.0251 (8) −0.0004 (6) 0.0051 (6) −0.0037 (6)
C6E 0.0239 (8) 0.0365 (9) 0.0206 (7) −0.0096 (6) 0.0017 (6) 0.0015 (6)
N4A 0.0278 (7) 0.0204 (7) 0.0421 (8) 0.0044 (5) −0.0006 (6) 0.0008 (6)
N5A 0.0233 (6) 0.0186 (6) 0.0311 (7) 0.0019 (5) 0.0003 (5) 0.0001 (5)
N6A 0.0192 (7) 0.0209 (7) 0.0364 (8) 0.0005 (5) 0.0060 (6) 0.0041 (6)
C7A 0.0299 (9) 0.0250 (8) 0.0333 (9) 0.0003 (6) 0.0009 (7) 0.0036 (7)
C8A 0.0236 (8) 0.0211 (8) 0.0384 (9) 0.0033 (6) 0.0039 (7) −0.0018 (6)
C9A 0.0251 (8) 0.0263 (8) 0.0325 (9) 0.0042 (6) 0.0041 (6) −0.0012 (7)
C10A 0.0293 (8) 0.0214 (8) 0.0337 (9) 0.0026 (6) −0.0021 (7) 0.0042 (6)
C11A 0.0240 (8) 0.0193 (7) 0.0382 (9) 0.0031 (6) 0.0035 (7) 0.0011 (6)
C12A 0.0243 (8) 0.0225 (8) 0.0372 (9) 0.0026 (6) 0.0080 (7) −0.0010 (7)
N4B 0.0290 (7) 0.0199 (7) 0.0516 (9) −0.0043 (5) −0.0009 (6) 0.0004 (6)
N5B 0.0234 (7) 0.0219 (6) 0.0294 (7) −0.0031 (5) −0.0003 (5) 0.0008 (5)
N6B 0.0204 (7) 0.0190 (6) 0.0347 (8) −0.0027 (5) 0.0064 (6) −0.0037 (5)
C7B 0.0298 (9) 0.0260 (8) 0.0352 (9) 0.0004 (6) −0.0003 (7) −0.0016 (7)
C8B 0.0253 (8) 0.0244 (8) 0.0435 (10) −0.0037 (6) 0.0058 (7) 0.0037 (7)
C9B 0.0238 (8) 0.0267 (8) 0.0338 (9) −0.0033 (6) 0.0027 (6) −0.0003 (7)
C10B 0.0299 (8) 0.0268 (8) 0.0294 (8) −0.0037 (6) −0.0009 (6) −0.0042 (7)
C11B 0.0252 (8) 0.0204 (7) 0.0343 (9) −0.0044 (6) 0.0048 (6) −0.0029 (6)
C12B 0.0248 (8) 0.0238 (8) 0.0329 (8) −0.0039 (6) 0.0078 (6) 0.0002 (6)
N4C 0.0319 (8) 0.0211 (7) 0.0462 (9) 0.0051 (6) −0.0016 (6) −0.0013 (6)
N5C 0.0248 (7) 0.0193 (6) 0.0353 (7) 0.0032 (5) −0.0013 (5) −0.0022 (5)
N6C 0.0186 (7) 0.0226 (7) 0.0304 (7) 0.0003 (5) 0.0034 (5) 0.0042 (5)
C7C 0.0349 (9) 0.0269 (8) 0.0358 (9) 0.0014 (7) 0.0013 (7) 0.0009 (7)
C8C 0.0284 (8) 0.0283 (8) 0.0363 (9) 0.0061 (7) 0.0026 (7) −0.0032 (7)
C9C 0.0264 (8) 0.0210 (8) 0.0433 (10) 0.0021 (6) 0.0020 (7) −0.0036 (7)
C10C 0.0299 (8) 0.0232 (8) 0.0358 (9) 0.0019 (6) −0.0047 (7) 0.0017 (7)
C11C 0.0226 (8) 0.0206 (8) 0.0399 (9) 0.0035 (6) 0.0002 (7) −0.0001 (7)
C12C 0.0248 (8) 0.0250 (8) 0.0325 (8) 0.0034 (6) 0.0047 (6) −0.0012 (6)
N4D 0.0304 (7) 0.0217 (7) 0.0421 (8) 0.0027 (5) −0.0029 (6) −0.0012 (6)
N5D 0.0236 (7) 0.0222 (7) 0.0309 (7) 0.0034 (5) −0.0024 (5) −0.0023 (5)
N6D 0.0218 (7) 0.0198 (7) 0.0290 (7) 0.0016 (5) 0.0049 (5) 0.0026 (5)
C7D 0.0245 (8) 0.0292 (8) 0.0355 (9) 0.0028 (6) 0.0018 (7) −0.0033 (7)
C8D 0.0231 (8) 0.0232 (8) 0.0369 (9) 0.0029 (6) 0.0020 (6) −0.0048 (7)
C9D 0.0315 (9) 0.0294 (9) 0.0342 (9) −0.0021 (7) 0.0017 (7) −0.0004 (7)
C10D 0.0286 (8) 0.0279 (8) 0.0294 (8) 0.0044 (6) −0.0036 (6) 0.0012 (7)
C11D 0.0258 (8) 0.0236 (8) 0.0316 (8) 0.0056 (6) −0.0009 (6) 0.0014 (6)
C12D 0.0258 (8) 0.0275 (8) 0.0317 (8) 0.0036 (6) 0.0051 (6) −0.0048 (7)
N4E 0.0329 (8) 0.0224 (7) 0.0462 (9) 0.0037 (6) −0.0022 (6) 0.0007 (6)
N5E 0.0263 (7) 0.0217 (6) 0.0307 (7) 0.0037 (5) −0.0018 (5) −0.0007 (5)
N6E 0.0218 (7) 0.0200 (7) 0.0319 (8) 0.0015 (5) 0.0056 (6) 0.0022 (5)
C7E 0.0328 (9) 0.0277 (8) 0.0395 (10) 0.0000 (7) 0.0014 (7) 0.0027 (7)
C8E 0.0286 (9) 0.0238 (8) 0.0400 (10) 0.0042 (6) 0.0027 (7) −0.0040 (7)
C9E 0.0251 (8) 0.0305 (9) 0.0386 (9) 0.0033 (7) 0.0025 (7) −0.0006 (7)
C10E 0.0345 (9) 0.0277 (8) 0.0295 (9) 0.0030 (7) −0.0049 (7) 0.0038 (7)
C11E 0.0286 (9) 0.0232 (8) 0.0346 (9) 0.0043 (6) −0.0008 (7) 0.0027 (7)
C12E 0.0280 (8) 0.0273 (8) 0.0307 (9) 0.0032 (6) 0.0056 (7) −0.0030 (7)