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. 2012 Jan 31;68(Pt 2):o552. doi: 10.1107/S1600536812002450
U11 U22 U33 U12 U13 U23
Cl1 0.0458 (5) 0.0517 (4) 0.0859 (6) 0.0009 (3) 0.0072 (4) −0.0054 (4)
O40 0.0564 (13) 0.0607 (9) 0.0939 (16) −0.0375 (10) −0.0080 (11) −0.0036 (11)
O43 0.0357 (10) 0.0613 (11) 0.171 (3) −0.0162 (9) −0.0045 (14) 0.0191 (15)
O44 0.0438 (10) 0.0392 (8) 0.0867 (14) −0.0064 (8) −0.0167 (10) 0.0044 (10)
O45 0.0625 (14) 0.0385 (8) 0.0938 (15) −0.0203 (9) −0.0183 (12) −0.0030 (11)
N2 0.0364 (11) 0.0327 (8) 0.0446 (8) −0.0112 (8) −0.0053 (8) 0.0045 (6)
N5 0.0361 (8) 0.0405 (7) 0.0519 (12) −0.0138 (7) −0.0048 (9) −0.0011 (10)
N24 0.0363 (9) 0.0383 (9) 0.0452 (12) −0.0097 (7) −0.0001 (8) 0.0059 (8)
N25 0.0366 (9) 0.0355 (8) 0.0427 (12) −0.0105 (7) −0.0010 (8) 0.0053 (8)
C1 0.0355 (10) 0.0324 (9) 0.0530 (10) −0.0138 (9) −0.0041 (10) 0.0060 (8)
C3 0.0293 (12) 0.0318 (8) 0.0488 (10) −0.0075 (9) −0.0038 (8) 0.0061 (6)
C4 0.0388 (10) 0.0360 (8) 0.0485 (13) −0.0141 (8) −0.0014 (11) 0.0013 (12)
C6 0.0342 (10) 0.0369 (8) 0.0431 (13) −0.0104 (7) −0.0030 (10) 0.0029 (11)
C7 0.0341 (9) 0.0348 (9) 0.0431 (9) −0.0127 (8) 0.0014 (10) 0.0066 (8)
C8 0.0303 (9) 0.0327 (8) 0.0457 (8) −0.0085 (7) 0.0029 (10) 0.0020 (8)
C9 0.0500 (13) 0.0464 (13) 0.0524 (11) −0.0207 (10) −0.0108 (12) 0.0019 (9)
C10 0.0576 (11) 0.0405 (12) 0.0418 (13) −0.0231 (10) −0.0053 (11) 0.0044 (8)
C11 0.0867 (18) 0.0617 (17) 0.0631 (19) −0.0383 (14) −0.0120 (15) −0.0079 (12)
C12 0.127 (2) 0.0618 (19) 0.069 (2) −0.0348 (18) −0.012 (2) −0.0181 (14)
C13 0.1104 (19) 0.0545 (19) 0.0526 (19) −0.0069 (18) 0.0003 (18) −0.0021 (13)
C14 0.0654 (15) 0.0603 (18) 0.066 (2) −0.0073 (12) 0.0003 (15) 0.0053 (13)
C15 0.0548 (12) 0.0467 (15) 0.0644 (18) −0.0176 (11) −0.0078 (13) 0.0029 (11)
C16 0.0397 (9) 0.0518 (15) 0.0510 (14) −0.0206 (10) −0.0068 (9) 0.0030 (10)
C17 0.0485 (15) 0.114 (3) 0.0647 (19) −0.0408 (18) 0.0053 (12) −0.0236 (16)
C18 0.0514 (17) 0.164 (4) 0.071 (2) −0.056 (2) 0.0044 (14) −0.0201 (19)
C19 0.0572 (18) 0.106 (3) 0.097 (3) −0.051 (2) −0.0158 (14) 0.0085 (17)
C20 0.059 (2) 0.095 (3) 0.130 (3) −0.036 (2) −0.0201 (16) −0.032 (2)
C21 0.0515 (16) 0.078 (2) 0.088 (2) −0.0281 (17) −0.0078 (14) −0.0256 (16)
C22 0.0357 (11) 0.0341 (8) 0.0440 (12) −0.0103 (8) −0.0026 (9) 0.0047 (9)
C23 0.0376 (11) 0.0357 (9) 0.0490 (15) −0.0092 (8) 0.0010 (10) 0.0052 (10)
C26 0.0377 (9) 0.0353 (8) 0.0317 (12) −0.0108 (7) −0.0029 (8) 0.0053 (9)
C27 0.0378 (10) 0.0342 (8) 0.0345 (12) −0.0103 (7) −0.0022 (9) 0.0020 (9)
C28 0.0506 (14) 0.0372 (9) 0.073 (2) −0.0106 (9) 0.0170 (13) 0.0092 (13)
C29 0.0538 (14) 0.0348 (11) 0.077 (2) −0.0060 (8) 0.0112 (13) 0.0088 (13)
C30 0.0372 (11) 0.0403 (9) 0.0478 (15) −0.0053 (8) −0.0025 (9) 0.0003 (11)
C31 0.0523 (16) 0.0482 (10) 0.117 (3) −0.0026 (10) 0.0322 (17) 0.0227 (18)
C32 0.0513 (16) 0.0400 (11) 0.116 (3) −0.0030 (9) 0.0279 (16) 0.0257 (17)
C33 0.0376 (11) 0.0519 (12) 0.0438 (15) −0.0144 (9) 0.0010 (9) 0.0068 (11)
C34 0.0508 (17) 0.0717 (18) 0.129 (3) 0.0025 (12) 0.0331 (19) 0.039 (2)
C35 0.053 (2) 0.102 (2) 0.150 (4) 0.0010 (17) 0.041 (2) 0.048 (3)
C36 0.0572 (18) 0.102 (2) 0.104 (3) −0.0301 (15) 0.0238 (19) 0.024 (2)
C37 0.067 (2) 0.084 (2) 0.114 (3) −0.0288 (14) 0.022 (2) 0.034 (2)
C38 0.0505 (16) 0.0581 (14) 0.090 (2) −0.0177 (12) 0.0116 (14) 0.0205 (15)
C39 0.0395 (11) 0.0479 (10) 0.0669 (18) −0.0207 (8) −0.0076 (12) 0.0098 (13)
C41 0.079 (2) 0.108 (2) 0.146 (4) −0.071 (2) −0.020 (2) −0.001 (3)
C42 0.137 (4) 0.121 (3) 0.145 (4) −0.104 (3) −0.034 (3) 0.004 (3)
Cl1' 0.1165 (10) 0.1634 (12) 0.1110 (9) −0.0587 (9) −0.0035 (7) 0.0712 (9)
O40' 0.0692 (15) 0.0680 (14) 0.125 (2) −0.0462 (12) −0.0362 (13) 0.0044 (13)
O43' 0.106 (2) 0.0794 (15) 0.141 (2) −0.0654 (16) −0.0595 (17) 0.0412 (15)
O44' 0.0796 (16) 0.0643 (12) 0.0524 (11) −0.0411 (12) −0.0272 (10) 0.0127 (9)
O45' 0.0554 (12) 0.0591 (11) 0.0388 (9) −0.0232 (10) −0.0085 (8) −0.0077 (8)
N2' 0.0392 (9) 0.0510 (12) 0.0437 (8) −0.0217 (9) −0.0044 (7) −0.0079 (8)
N5' 0.0392 (12) 0.0475 (8) 0.0379 (10) −0.0222 (9) −0.0025 (8) −0.0015 (8)
N24' 0.0433 (13) 0.0610 (14) 0.0512 (11) −0.0288 (11) −0.0075 (9) −0.0022 (9)
N25' 0.0463 (14) 0.0624 (14) 0.0525 (11) −0.0300 (11) −0.0132 (9) 0.0017 (10)
C1' 0.0426 (10) 0.0542 (11) 0.0429 (11) −0.0283 (9) −0.0082 (9) −0.0014 (9)
C3' 0.0396 (10) 0.0444 (12) 0.0464 (9) −0.0200 (8) −0.0096 (8) −0.0005 (9)
C4' 0.0365 (14) 0.0501 (10) 0.0338 (11) −0.0207 (11) −0.0004 (8) −0.0030 (7)
C6' 0.0381 (15) 0.0497 (10) 0.0384 (12) −0.0235 (11) −0.0038 (9) 0.0007 (8)
C7' 0.0340 (10) 0.0508 (10) 0.0439 (12) −0.0241 (8) −0.0034 (7) 0.0004 (7)
C8' 0.0394 (10) 0.0501 (10) 0.0369 (9) −0.0247 (9) −0.0027 (7) 0.0021 (7)
C9' 0.0509 (14) 0.0591 (16) 0.0616 (10) −0.0195 (12) −0.0037 (11) −0.0192 (9)
C10' 0.0483 (17) 0.0491 (15) 0.0522 (9) −0.0247 (13) 0.0071 (11) −0.0166 (9)
C11' 0.085 (2) 0.0578 (18) 0.0555 (13) −0.0450 (17) −0.0045 (15) −0.0081 (12)
C12' 0.111 (3) 0.088 (2) 0.0618 (16) −0.056 (2) −0.0160 (19) −0.0147 (15)
C13' 0.111 (3) 0.094 (3) 0.0454 (16) −0.040 (2) 0.0015 (17) −0.0057 (14)
C14' 0.123 (3) 0.072 (2) 0.0636 (15) −0.049 (2) 0.0254 (18) −0.0033 (15)
C15' 0.093 (3) 0.0675 (19) 0.0682 (14) −0.055 (2) 0.0236 (16) −0.0202 (13)
C16' 0.0453 (12) 0.0479 (9) 0.0381 (13) −0.0239 (9) −0.0005 (11) −0.0049 (10)
C17' 0.0466 (12) 0.0501 (9) 0.0608 (17) −0.0215 (9) −0.0002 (13) −0.0003 (14)
C18' 0.0722 (17) 0.0481 (10) 0.096 (2) −0.0252 (13) −0.006 (2) −0.0002 (17)
C19' 0.093 (2) 0.0553 (12) 0.116 (3) −0.0464 (14) −0.015 (2) −0.001 (2)
C20' 0.0733 (18) 0.0692 (15) 0.120 (3) −0.0486 (13) −0.017 (2) 0.002 (2)
C21' 0.0487 (13) 0.0548 (12) 0.083 (2) −0.0282 (11) −0.0091 (16) −0.0048 (16)
C22' 0.0373 (11) 0.0462 (14) 0.0465 (11) −0.0184 (10) −0.0051 (9) −0.0087 (10)
C23' 0.0392 (15) 0.0540 (16) 0.0466 (11) −0.0220 (12) −0.0059 (10) −0.0050 (11)
C26' 0.0381 (15) 0.0487 (14) 0.0520 (10) −0.0196 (12) −0.0106 (9) −0.0011 (10)
C27' 0.0376 (15) 0.0534 (14) 0.0558 (9) −0.0202 (13) −0.0144 (11) 0.0057 (9)
C28' 0.092 (3) 0.088 (2) 0.0516 (10) −0.054 (2) −0.0213 (17) 0.0060 (11)
C29' 0.091 (3) 0.108 (2) 0.0539 (11) −0.046 (2) −0.0200 (18) 0.0158 (13)
C30' 0.051 (2) 0.095 (2) 0.0797 (11) −0.027 (2) −0.0111 (18) 0.0342 (13)
C31' 0.0502 (19) 0.0660 (18) 0.1050 (11) −0.0282 (17) −0.0058 (19) 0.0224 (13)
C32' 0.0459 (17) 0.0531 (15) 0.0804 (12) −0.0226 (14) −0.0057 (15) 0.0036 (11)
C33' 0.0412 (16) 0.0592 (17) 0.0589 (13) −0.0271 (13) 0.0006 (11) −0.0073 (12)
C34' 0.096 (3) 0.123 (3) 0.0724 (17) −0.081 (2) −0.0190 (19) 0.0219 (19)
C35' 0.112 (3) 0.122 (3) 0.099 (2) −0.087 (3) −0.016 (2) 0.029 (2)
C36' 0.098 (3) 0.098 (3) 0.096 (2) −0.076 (3) 0.0174 (19) −0.020 (2)
C37' 0.142 (4) 0.181 (5) 0.090 (2) −0.137 (4) −0.010 (2) −0.007 (3)
C38' 0.116 (3) 0.156 (4) 0.0716 (19) −0.112 (3) −0.020 (2) 0.010 (2)
C39' 0.0579 (17) 0.0580 (12) 0.0654 (19) −0.0362 (14) −0.0133 (13) −0.0021 (11)
C41' 0.108 (3) 0.079 (3) 0.236 (6) −0.070 (3) −0.060 (4) −0.004 (3)
C42' 0.239 (8) 0.261 (8) 0.319 (10) −0.196 (8) −0.152 (7) 0.025 (7)