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. 2015 Jul 15;71(Pt 8):o576–o577. doi: 10.1107/S2056989015012335
U11 U22 U33 U12 U13 U23
C1 0.0410 (12) 0.0460 (14) 0.0396 (12) −0.0053 (11) −0.0029 (10) −0.0089 (11)
C2 0.0540 (14) 0.0645 (18) 0.0329 (12) −0.0067 (14) −0.0057 (11) −0.0124 (12)
C3 0.0592 (15) 0.0672 (19) 0.0317 (12) 0.0090 (14) −0.0042 (11) 0.0023 (12)
C4 0.0501 (13) 0.0397 (14) 0.0304 (11) 0.0055 (11) 0.0030 (10) 0.0013 (10)
C5 0.0430 (11) 0.0346 (13) 0.0300 (10) 0.0044 (10) 0.0022 (9) −0.0028 (9)
C6 0.0528 (13) 0.0309 (12) 0.0328 (11) −0.0056 (11) 0.0021 (10) −0.0010 (9)
C7 0.0375 (11) 0.0377 (13) 0.0339 (11) −0.0049 (10) 0.0020 (9) −0.0020 (10)
C8 0.0419 (12) 0.0401 (14) 0.0319 (11) 0.0001 (10) −0.0036 (9) 0.0001 (10)
C9 0.0404 (11) 0.0365 (13) 0.0318 (11) 0.0025 (10) 0.0049 (9) −0.0010 (9)
C10 0.0363 (11) 0.0398 (13) 0.0346 (11) −0.0016 (10) 0.0037 (9) −0.0031 (10)
C11 0.0359 (10) 0.0376 (13) 0.0290 (10) 0.0020 (10) 0.0004 (9) −0.0028 (9)
C12 0.0649 (16) 0.0497 (16) 0.0476 (14) −0.0161 (14) 0.0096 (13) −0.0014 (13)
C13 0.0678 (16) 0.0390 (14) 0.0440 (13) −0.0073 (13) 0.0152 (12) 0.0097 (11)
C14 0.0482 (12) 0.0507 (15) 0.0373 (12) 0.0017 (12) 0.0070 (10) 0.0046 (11)
C15 0.0514 (13) 0.0521 (16) 0.0403 (13) 0.0120 (12) 0.0034 (11) 0.0064 (12)
C16 0.0776 (18) 0.0401 (14) 0.0415 (13) 0.0126 (14) 0.0174 (13) 0.0076 (11)
C17 0.0403 (11) 0.0304 (12) 0.0302 (10) 0.0013 (9) 0.0027 (9) −0.0005 (9)
C18 0.0490 (13) 0.0394 (14) 0.0359 (12) 0.0039 (11) 0.0088 (10) 0.0037 (10)
C19 0.0596 (15) 0.0547 (17) 0.0449 (14) 0.0114 (14) 0.0035 (12) 0.0175 (13)
C20 0.107 (3) 0.060 (2) 0.109 (3) −0.020 (2) −0.031 (2) −0.026 (2)
C21 0.126 (3) 0.095 (3) 0.112 (3) 0.070 (3) 0.051 (3) 0.049 (3)
C22 0.096 (2) 0.120 (3) 0.0402 (15) 0.004 (2) 0.0096 (16) 0.0289 (18)
C23 0.0408 (11) 0.0427 (14) 0.0443 (12) −0.0018 (11) 0.0094 (10) −0.0046 (11)
C24 0.0607 (16) 0.0464 (17) 0.080 (2) 0.0064 (14) 0.0222 (15) −0.0036 (15)
C25 0.0344 (10) 0.0266 (11) 0.0352 (11) −0.0008 (9) 0.0069 (9) −0.0022 (9)
C26 0.0531 (13) 0.0394 (13) 0.0300 (11) −0.0009 (11) 0.0092 (10) −0.0009 (10)
C27 0.0517 (13) 0.0338 (13) 0.0341 (11) −0.0029 (11) 0.0052 (10) 0.0083 (10)
C28 0.0401 (11) 0.0230 (11) 0.0309 (10) −0.0018 (9) −0.0039 (9) 0.0014 (8)
C29 0.0367 (10) 0.0242 (11) 0.0317 (10) −0.0015 (9) −0.0028 (9) −0.0022 (9)
C30 0.0543 (13) 0.0243 (11) 0.0308 (10) 0.0111 (10) −0.0008 (10) −0.0002 (9)
C31 0.0354 (10) 0.0297 (12) 0.0351 (11) 0.0092 (9) 0.0042 (9) 0.0005 (9)
C32 0.0416 (11) 0.0325 (12) 0.0309 (10) 0.0075 (10) 0.0079 (9) 0.0010 (9)
C33 0.0409 (11) 0.0282 (12) 0.0324 (11) −0.0012 (10) −0.0019 (9) −0.0016 (9)
C34 0.0307 (9) 0.0291 (12) 0.0338 (11) 0.0006 (9) 0.0024 (8) 0.0009 (9)
C35 0.0304 (9) 0.0233 (11) 0.0278 (10) −0.0007 (8) 0.0010 (8) −0.0006 (8)
C36 0.0427 (11) 0.0337 (12) 0.0386 (12) 0.0092 (10) 0.0065 (10) 0.0072 (10)
C37 0.0418 (12) 0.0299 (12) 0.0367 (11) 0.0070 (10) 0.0006 (9) 0.0087 (9)
C38 0.0355 (10) 0.0406 (13) 0.0347 (11) 0.0011 (10) −0.0011 (9) 0.0046 (10)
C39 0.0363 (10) 0.0428 (14) 0.0382 (12) 0.0029 (10) 0.0061 (9) 0.0104 (10)
C40 0.0452 (12) 0.0309 (12) 0.0337 (11) −0.0005 (10) −0.0017 (9) 0.0065 (9)
C41 0.0306 (10) 0.0224 (10) 0.0323 (10) 0.0010 (8) 0.0027 (8) 0.0026 (8)
C42 0.0416 (11) 0.0313 (12) 0.0372 (11) 0.0007 (10) −0.0066 (9) 0.0037 (10)
C43 0.0458 (12) 0.0311 (12) 0.0335 (11) −0.0012 (10) 0.0023 (9) 0.0058 (9)
C44 0.098 (2) 0.0424 (16) 0.0711 (19) 0.0198 (17) 0.0277 (18) −0.0096 (14)
C45 0.0682 (16) 0.0618 (18) 0.0424 (13) 0.0017 (15) −0.0074 (12) 0.0179 (13)
C46 0.0608 (16) 0.0573 (18) 0.0553 (15) −0.0205 (15) −0.0011 (13) 0.0116 (13)
C47 0.0357 (11) 0.0384 (14) 0.0543 (14) −0.0030 (10) −0.0076 (10) 0.0064 (11)
C48 0.0518 (15) 0.0461 (17) 0.095 (2) −0.0143 (13) −0.0165 (15) 0.0080 (16)
C1' 0.0630 (15) 0.0443 (16) 0.0587 (16) 0.0072 (14) 0.0055 (13) 0.0178 (13)
C2' 0.0569 (15) 0.064 (2) 0.0711 (19) 0.0147 (16) 0.0082 (14) 0.0300 (16)
C3' 0.078 (2) 0.049 (2) 0.118 (3) −0.0027 (17) 0.004 (2) 0.032 (2)
C4' 0.128 (4) 0.054 (2) 0.117 (3) −0.021 (2) 0.021 (3) −0.001 (2)
C5' 0.168 (4) 0.050 (2) 0.101 (3) −0.022 (3) 0.044 (3) −0.010 (2)
C6' 0.106 (3) 0.054 (2) 0.070 (2) −0.010 (2) 0.0229 (19) 0.0025 (16)
C1'' 0.0412 (11) 0.0269 (12) 0.0413 (12) 0.0021 (10) 0.0055 (10) 0.0039 (9)
C2'' 0.0719 (17) 0.0382 (15) 0.0524 (15) 0.0052 (14) −0.0059 (13) 0.0087 (12)
C3'' 0.089 (2) 0.0286 (14) 0.083 (2) 0.0108 (15) −0.0110 (18) 0.0108 (14)
C4'' 0.0712 (18) 0.0291 (14) 0.093 (2) 0.0004 (14) −0.0004 (17) −0.0093 (15)
C5'' 0.0589 (15) 0.0367 (14) 0.0689 (17) −0.0007 (13) −0.0072 (14) −0.0109 (13)
C6'' 0.0450 (12) 0.0373 (14) 0.0463 (13) 0.0005 (11) 0.0011 (10) −0.0011 (11)
N1 0.115 (2) 0.087 (2) 0.0763 (19) 0.014 (2) 0.0178 (18) 0.0409 (18)
N2 0.0414 (10) 0.0371 (11) 0.0335 (9) 0.0000 (9) 0.0076 (8) −0.0006 (8)
N3 0.145 (3) 0.0551 (16) 0.0664 (16) 0.0170 (19) −0.0368 (18) 0.0142 (14)
N4 0.0334 (8) 0.0272 (10) 0.0378 (9) −0.0026 (8) −0.0044 (7) 0.0050 (8)
O1 0.1100 (17) 0.0679 (14) 0.0440 (10) 0.0173 (14) 0.0202 (11) 0.0133 (10)
O2 0.0732 (11) 0.0378 (10) 0.0391 (9) 0.0081 (9) 0.0077 (8) 0.0060 (7)
O3 0.0529 (9) 0.0415 (10) 0.0384 (8) 0.0108 (8) 0.0026 (7) −0.0044 (7)
O4 0.0586 (10) 0.0535 (11) 0.0339 (8) −0.0027 (9) −0.0060 (8) −0.0057 (8)
O5 0.0633 (11) 0.0652 (12) 0.0329 (8) 0.0044 (10) 0.0075 (8) 0.0056 (8)
O6 0.0880 (14) 0.0576 (13) 0.0673 (12) 0.0311 (12) 0.0275 (11) 0.0269 (10)
O7 0.0685 (11) 0.0434 (11) 0.0543 (10) −0.0052 (9) −0.0096 (9) −0.0171 (9)
O8 0.0842 (13) 0.0365 (9) 0.0406 (9) 0.0002 (9) −0.0173 (9) 0.0018 (8)
O9 0.0536 (9) 0.0210 (7) 0.0374 (8) 0.0001 (7) −0.0058 (7) 0.0033 (6)
O10 0.0546 (9) 0.0263 (8) 0.0411 (8) 0.0031 (7) 0.0062 (8) −0.0068 (7)
O11 0.0695 (11) 0.0457 (10) 0.0319 (8) 0.0154 (9) 0.0094 (8) −0.0014 (7)
O12 0.0626 (10) 0.0508 (11) 0.0309 (8) 0.0075 (9) −0.0024 (7) 0.0074 (7)
O13 0.0534 (9) 0.0359 (9) 0.0452 (9) −0.0099 (8) −0.0054 (8) 0.0136 (7)
O14 0.0593 (10) 0.0344 (9) 0.0387 (8) −0.0057 (8) −0.0036 (8) −0.0029 (7)