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. 2013 Mar 9;69(Pt 4):o527–o528. doi: 10.1107/S1600536813006326
U11 U22 U33 U12 U13 U23
N1 0.0297 (9) 0.0220 (10) 0.0152 (9) 0.0078 (8) 0.0023 (7) −0.0011 (7)
N2 0.0254 (9) 0.0224 (10) 0.0146 (9) 0.0060 (7) −0.0025 (7) 0.0006 (7)
N3 0.0525 (12) 0.0296 (11) 0.0173 (9) 0.0165 (9) 0.0086 (8) 0.0059 (7)
C1 0.0192 (10) 0.0244 (12) 0.0164 (10) −0.0001 (8) −0.0005 (8) −0.0015 (9)
C2 0.0192 (9) 0.0185 (11) 0.0163 (10) 0.0047 (8) −0.0038 (8) −0.0028 (8)
C3 0.0246 (10) 0.0189 (11) 0.0174 (10) 0.0045 (8) 0.0000 (8) −0.0030 (8)
C4 0.0302 (11) 0.0175 (11) 0.0165 (10) 0.0015 (9) 0.0015 (8) −0.0008 (8)
C5 0.0342 (11) 0.0202 (11) 0.0212 (10) 0.0064 (9) 0.0030 (8) 0.0046 (8)
C6 0.0360 (11) 0.0237 (11) 0.0239 (10) 0.0101 (9) 0.0067 (8) 0.0016 (8)
C7 0.0378 (12) 0.0229 (11) 0.0191 (10) 0.0063 (9) 0.0039 (8) 0.0027 (8)
C8 0.0453 (13) 0.0260 (12) 0.0221 (10) 0.0133 (10) 0.0022 (9) 0.0056 (9)
C9 0.0426 (12) 0.0274 (12) 0.0210 (10) 0.0150 (10) 0.0043 (8) 0.0017 (8)
C10 0.0466 (13) 0.0324 (13) 0.0215 (10) 0.0104 (10) 0.0086 (9) −0.0002 (9)
C11 0.0782 (19) 0.0390 (15) 0.0173 (11) 0.0249 (14) 0.0102 (11) 0.0102 (10)
C12 0.0465 (13) 0.0252 (13) 0.0139 (10) 0.0094 (10) 0.0014 (9) −0.0030 (9)
C13 0.0487 (14) 0.0265 (12) 0.0244 (11) 0.0132 (11) 0.0101 (10) 0.0018 (10)
C14 0.0493 (16) 0.0563 (19) 0.0388 (14) 0.0272 (14) 0.0028 (12) 0.0098 (13)
C15 0.0245 (11) 0.0201 (12) 0.0164 (11) 0.0059 (9) 0.0028 (8) 0.0035 (9)
C16 0.0280 (11) 0.0229 (12) 0.0243 (11) 0.0021 (10) 0.0049 (10) −0.0042 (10)
C17 0.0342 (13) 0.0316 (14) 0.0292 (13) 0.0003 (11) 0.0058 (10) −0.0055 (11)
C18 0.0419 (13) 0.0228 (13) 0.0178 (11) 0.0118 (10) 0.0068 (10) −0.0019 (9)
C19 0.0240 (11) 0.0404 (15) 0.0273 (12) 0.0113 (10) 0.0067 (9) 0.0032 (11)
C20 0.0214 (11) 0.0301 (14) 0.0265 (12) 0.0057 (10) −0.0014 (9) −0.0033 (10)
C21 0.0196 (10) 0.0296 (13) 0.0200 (11) 0.0060 (9) 0.0044 (9) −0.0001 (10)
C22 0.0209 (10) 0.0261 (13) 0.0268 (12) 0.0081 (9) 0.0030 (9) 0.0004 (10)
C23 0.0242 (10) 0.0283 (13) 0.0171 (10) 0.0053 (9) 0.0006 (8) −0.0017 (9)
C24 0.0339 (12) 0.0322 (14) 0.0257 (12) 0.0143 (10) 0.0113 (9) 0.0086 (10)
C25 0.0289 (11) 0.0193 (11) 0.0238 (11) 0.0047 (9) 0.0048 (9) −0.0019 (9)
C26 0.0244 (10) 0.0292 (13) 0.0174 (10) 0.0064 (9) 0.0024 (8) 0.0008 (9)
N4 0.0239 (9) 0.0236 (10) 0.0115 (8) 0.0040 (7) 0.0007 (6) −0.0067 (7)
N5 0.0238 (9) 0.0281 (11) 0.0154 (9) 0.0058 (8) −0.0032 (7) −0.0005 (8)
N6 0.0399 (10) 0.0293 (11) 0.0184 (9) 0.0081 (8) 0.0044 (7) 0.0029 (7)
C27 0.0176 (9) 0.0212 (11) 0.0190 (11) −0.0035 (8) −0.0008 (8) −0.0006 (9)
C28 0.0188 (10) 0.0263 (13) 0.0165 (11) 0.0058 (9) −0.0028 (8) −0.0036 (9)
C29 0.0234 (10) 0.0271 (13) 0.0195 (11) 0.0053 (9) 0.0018 (8) −0.0025 (9)
C30 0.0314 (11) 0.0295 (13) 0.0185 (10) 0.0148 (10) 0.0031 (8) 0.0017 (9)
C31 0.0237 (10) 0.0252 (12) 0.0210 (10) 0.0067 (8) 0.0026 (7) −0.0001 (8)
C32 0.0288 (10) 0.0257 (12) 0.0200 (10) 0.0113 (9) −0.0012 (8) −0.0005 (8)
C33 0.0352 (11) 0.0220 (11) 0.0184 (10) 0.0137 (9) 0.0013 (8) 0.0019 (8)
C34 0.0303 (10) 0.0244 (11) 0.0221 (10) 0.0076 (9) 0.0042 (8) 0.0035 (8)
C35 0.0279 (10) 0.0242 (11) 0.0201 (10) 0.0068 (9) 0.0002 (8) 0.0003 (8)
C36 0.0475 (13) 0.0376 (14) 0.0164 (10) 0.0133 (11) 0.0016 (9) −0.0003 (10)
C37 0.0407 (12) 0.0378 (13) 0.0208 (10) 0.0153 (10) 0.0079 (8) 0.0077 (9)
C38 0.0486 (14) 0.0254 (13) 0.0159 (11) −0.0018 (11) 0.0066 (10) −0.0031 (9)
C39 0.120 (3) 0.0402 (18) 0.0378 (15) 0.048 (2) 0.0445 (18) 0.0177 (14)
C40 0.0389 (13) 0.0507 (16) 0.0309 (12) 0.0208 (12) 0.0067 (10) 0.0096 (11)
C41 0.0218 (10) 0.0236 (13) 0.0187 (11) 0.0055 (9) 0.0041 (8) 0.0037 (9)
C42 0.0229 (10) 0.0252 (12) 0.0211 (11) 0.0047 (9) 0.0015 (9) −0.0019 (9)
C43 0.0294 (12) 0.0312 (14) 0.0217 (11) 0.0021 (10) 0.0015 (9) −0.0053 (10)
C44 0.0421 (13) 0.0274 (14) 0.0151 (10) 0.0142 (11) 0.0055 (9) 0.0000 (9)
C45 0.0241 (11) 0.0461 (17) 0.0294 (13) 0.0135 (11) 0.0087 (10) 0.0101 (12)
C46 0.0202 (11) 0.0377 (15) 0.0248 (11) 0.0050 (10) −0.0008 (9) 0.0021 (11)
C47 0.0211 (10) 0.0322 (14) 0.0190 (11) 0.0064 (9) 0.0046 (9) 0.0020 (10)
C48 0.0234 (11) 0.0278 (14) 0.0291 (13) 0.0070 (10) 0.0019 (10) 0.0001 (11)
C49 0.0304 (12) 0.0344 (15) 0.0233 (12) 0.0069 (10) 0.0035 (10) 0.0019 (10)
C50 0.0359 (13) 0.0326 (14) 0.0288 (12) 0.0111 (11) 0.0103 (10) 0.0066 (11)
C51 0.0321 (11) 0.0207 (12) 0.0321 (13) 0.0036 (10) 0.0076 (10) −0.0020 (10)
C52 0.0279 (11) 0.0295 (13) 0.0212 (11) 0.0059 (10) 0.0044 (9) −0.0002 (10)
N7 0.0221 (9) 0.0240 (11) 0.0218 (9) 0.0046 (7) 0.0005 (7) −0.0043 (8)
N8 0.0198 (8) 0.0265 (11) 0.0194 (9) 0.0058 (7) −0.0020 (7) 0.0033 (8)
N9 0.0359 (10) 0.0323 (11) 0.0196 (9) 0.0114 (8) −0.0024 (7) −0.0016 (7)
C53 0.0187 (10) 0.0305 (13) 0.0143 (10) 0.0074 (9) −0.0009 (8) −0.0007 (9)
C54 0.0177 (9) 0.0247 (12) 0.0154 (10) 0.0012 (8) −0.0023 (8) −0.0041 (9)
C55 0.0177 (9) 0.0241 (12) 0.0183 (10) 0.0066 (8) 0.0007 (8) 0.0002 (8)
C56 0.0213 (10) 0.0232 (12) 0.0201 (10) 0.0073 (9) 0.0007 (8) 0.0016 (8)
C57 0.0266 (10) 0.0276 (12) 0.0224 (10) 0.0120 (9) 0.0013 (8) 0.0004 (8)
C58 0.0266 (10) 0.0324 (13) 0.0199 (10) 0.0141 (9) 0.0043 (8) 0.0040 (8)
C59 0.0289 (10) 0.0279 (12) 0.0197 (10) 0.0150 (9) −0.0016 (8) −0.0013 (8)
C60 0.0239 (10) 0.0276 (12) 0.0259 (10) 0.0081 (8) −0.0003 (8) 0.0003 (8)
C61 0.0268 (10) 0.0274 (11) 0.0213 (10) 0.0097 (9) 0.0023 (8) 0.0026 (8)
C62 0.0414 (13) 0.0406 (15) 0.0234 (11) 0.0123 (11) −0.0006 (9) −0.0021 (11)
C63 0.0341 (11) 0.0342 (12) 0.0252 (10) 0.0122 (10) −0.0070 (8) −0.0052 (9)
C64 0.0381 (12) 0.0194 (12) 0.0223 (11) 0.0025 (10) −0.0042 (9) 0.0003 (9)
C65 0.0562 (17) 0.0307 (14) 0.0274 (12) 0.0247 (13) −0.0144 (11) −0.0050 (10)
C66 0.0446 (16) 0.059 (2) 0.074 (2) 0.0350 (15) −0.0091 (15) −0.0248 (17)
C67 0.0268 (11) 0.0241 (12) 0.0151 (10) 0.0098 (9) 0.0005 (8) 0.0004 (9)
C68 0.0250 (11) 0.0280 (13) 0.0237 (11) 0.0019 (10) −0.0035 (9) 0.0017 (10)
C69 0.0374 (13) 0.0276 (13) 0.0220 (11) 0.0028 (11) 0.0015 (10) 0.0061 (10)
C70 0.0399 (13) 0.0336 (15) 0.0205 (11) 0.0168 (11) −0.0031 (10) −0.0009 (10)
C71 0.0293 (12) 0.0454 (16) 0.0188 (11) 0.0145 (11) −0.0058 (9) 0.0006 (11)
C72 0.0247 (11) 0.0410 (15) 0.0180 (11) 0.0057 (11) −0.0003 (9) 0.0017 (10)
C73 0.0171 (9) 0.0217 (12) 0.0254 (11) 0.0052 (8) −0.0013 (9) 0.0009 (10)
C74 0.0238 (11) 0.0257 (13) 0.0157 (10) 0.0018 (9) 0.0020 (8) −0.0015 (10)
C75 0.0314 (12) 0.0326 (14) 0.0222 (12) 0.0092 (10) 0.0016 (9) −0.0067 (10)
C76 0.0302 (12) 0.0224 (13) 0.0359 (14) 0.0051 (10) −0.0031 (10) −0.0088 (10)
C77 0.0269 (11) 0.0302 (14) 0.0350 (13) 0.0056 (10) −0.0066 (10) 0.0042 (11)
C78 0.0222 (10) 0.0309 (13) 0.0201 (11) 0.0071 (9) −0.0033 (8) 0.0044 (9)
N10 0.0244 (9) 0.0181 (10) 0.0192 (9) 0.0040 (7) 0.0019 (7) −0.0023 (7)
N11 0.0211 (8) 0.0265 (11) 0.0187 (9) 0.0049 (7) −0.0019 (7) 0.0018 (8)
N12 0.0454 (11) 0.0376 (12) 0.0196 (9) 0.0154 (9) −0.0072 (8) −0.0016 (8)
C79 0.0201 (10) 0.0221 (12) 0.0154 (10) 0.0051 (9) −0.0015 (8) −0.0054 (9)
C80 0.0163 (9) 0.0294 (14) 0.0184 (11) 0.0020 (9) −0.0002 (8) −0.0023 (10)
C81 0.0208 (10) 0.0299 (13) 0.0164 (10) 0.0076 (9) 0.0017 (8) −0.0017 (9)
C82 0.0241 (10) 0.0307 (14) 0.0202 (10) 0.0080 (9) −0.0014 (8) −0.0017 (9)
C83 0.0308 (11) 0.0273 (12) 0.0213 (10) 0.0086 (9) −0.0003 (8) 0.0002 (8)
C84 0.0315 (11) 0.0260 (12) 0.0255 (10) 0.0084 (9) −0.0058 (8) 0.0024 (8)
C85 0.0289 (11) 0.0314 (13) 0.0192 (10) 0.0062 (9) −0.0024 (8) 0.0002 (9)
C86 0.0413 (13) 0.0289 (13) 0.0208 (10) 0.0152 (10) −0.0014 (9) −0.0022 (9)
C87 0.0382 (12) 0.0300 (13) 0.0198 (10) 0.0138 (10) −0.0013 (8) 0.0022 (8)
C88 0.0421 (13) 0.0365 (14) 0.0233 (11) 0.0097 (11) −0.0091 (9) 0.0020 (9)
C89 0.0631 (17) 0.0432 (16) 0.0205 (11) 0.0209 (14) −0.0049 (10) −0.0017 (10)
C90 0.0384 (12) 0.0193 (12) 0.0208 (11) 0.0062 (10) −0.0042 (9) −0.0008 (9)
C91 0.0500 (14) 0.0241 (13) 0.0255 (12) 0.0179 (11) −0.0108 (10) −0.0028 (10)
C92 0.0503 (17) 0.0341 (16) 0.079 (2) 0.0255 (13) 0.0181 (15) 0.0077 (14)
C93 0.0282 (11) 0.0188 (12) 0.0174 (11) 0.0089 (9) 0.0014 (8) −0.0006 (9)
C94 0.0257 (11) 0.0309 (13) 0.0256 (11) 0.0002 (10) −0.0063 (10) 0.0022 (11)
C95 0.0390 (14) 0.0230 (13) 0.0242 (12) 0.0021 (10) 0.0004 (10) 0.0065 (10)
C96 0.0400 (13) 0.0300 (14) 0.0190 (11) 0.0159 (11) −0.0041 (10) −0.0024 (10)
C97 0.0318 (12) 0.0438 (16) 0.0195 (11) 0.0143 (11) −0.0060 (10) −0.0004 (11)
C98 0.0259 (12) 0.0409 (15) 0.0194 (11) 0.0066 (11) 0.0025 (9) 0.0014 (10)
C99 0.0163 (9) 0.0184 (12) 0.0202 (10) 0.0047 (8) −0.0010 (8) −0.0022 (9)
C100 0.0253 (11) 0.0226 (13) 0.0156 (10) 0.0020 (9) 0.0041 (9) 0.0005 (10)
C101 0.0299 (12) 0.0303 (14) 0.0225 (11) 0.0097 (10) 0.0024 (9) −0.0072 (10)
C102 0.0277 (11) 0.0214 (12) 0.0262 (11) 0.0057 (9) 0.0019 (9) −0.0035 (9)
C103 0.0221 (10) 0.0241 (12) 0.0323 (12) 0.0063 (9) −0.0028 (9) 0.0013 (10)
C104 0.0187 (10) 0.0260 (12) 0.0206 (10) 0.0058 (9) 0.0003 (8) 0.0048 (9)