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. 2012 Aug 31;68(Pt 9):o2800. doi: 10.1107/S1600536812036689
U11 U22 U33 U12 U13 U23
O1 0.0727 (19) 0.083 (2) 0.089 (2) −0.0082 (16) −0.0313 (16) −0.0141 (18)
O2 0.127 (3) 0.079 (2) 0.0388 (15) 0.0099 (19) −0.0027 (15) 0.0047 (14)
Br1 0.0599 (3) 0.0763 (3) 0.0583 (3) −0.0100 (2) 0.01681 (19) 0.0202 (2)
S2 0.0322 (4) 0.0552 (5) 0.0482 (5) 0.0007 (4) 0.0061 (3) 0.0165 (4)
S1 0.0729 (7) 0.0615 (6) 0.0461 (5) −0.0010 (5) −0.0126 (5) −0.0021 (5)
Cl1 0.0878 (9) 0.0894 (10) 0.1623 (15) 0.0286 (8) −0.0144 (9) −0.0113 (9)
C1 0.058 (2) 0.049 (2) 0.048 (2) −0.0077 (17) −0.0057 (17) −0.0081 (17)
C2 0.082 (3) 0.076 (3) 0.068 (3) −0.001 (3) 0.018 (2) 0.006 (2)
C3 0.069 (3) 0.091 (4) 0.096 (4) 0.000 (3) 0.018 (3) −0.014 (3)
C4 0.064 (3) 0.058 (3) 0.091 (3) 0.003 (2) −0.006 (2) −0.014 (2)
C5 0.064 (3) 0.048 (2) 0.082 (3) −0.010 (2) −0.007 (2) 0.005 (2)
C6 0.057 (2) 0.054 (2) 0.063 (2) −0.0094 (19) −0.0005 (19) 0.001 (2)
N7 0.0450 (16) 0.0564 (18) 0.0462 (16) −0.0007 (14) −0.0001 (13) 0.0004 (14)
C8 0.0393 (17) 0.0421 (19) 0.0405 (18) 0.0066 (14) 0.0061 (14) 0.0035 (14)
C9 0.063 (2) 0.052 (2) 0.0365 (18) 0.0063 (18) 0.0070 (16) 0.0057 (16)
C10 0.057 (2) 0.045 (2) 0.052 (2) 0.0012 (17) 0.0192 (17) 0.0131 (17)
C11 0.0397 (18) 0.0387 (19) 0.060 (2) 0.0016 (15) 0.0103 (16) 0.0091 (16)
C12 0.0398 (17) 0.044 (2) 0.0454 (19) 0.0028 (15) −0.0019 (15) 0.0102 (15)
C13 0.0346 (16) 0.0376 (17) 0.0426 (18) 0.0048 (13) 0.0061 (14) 0.0103 (14)
O14 0.0573 (15) 0.0597 (16) 0.0730 (19) −0.0169 (13) 0.0053 (14) 0.0132 (14)
C15 0.073 (3) 0.086 (3) 0.089 (3) −0.032 (3) −0.016 (3) 0.017 (3)
C16 0.0339 (16) 0.0369 (17) 0.0384 (17) −0.0049 (13) −0.0027 (13) 0.0033 (14)
N17 0.0300 (13) 0.0380 (15) 0.0420 (15) −0.0040 (11) −0.0004 (11) 0.0057 (12)
C18 0.0352 (17) 0.0381 (18) 0.050 (2) −0.0063 (14) −0.0007 (15) 0.0013 (15)
N19 0.0500 (17) 0.0424 (17) 0.074 (2) 0.0040 (14) 0.0052 (16) 0.0190 (15)
C20 0.060 (2) 0.047 (2) 0.065 (2) −0.0005 (18) 0.0028 (19) 0.0229 (19)
C21 0.0440 (18) 0.0411 (19) 0.0425 (19) −0.0075 (15) 0.0064 (15) 0.0137 (15)
N22 0.0364 (15) 0.0505 (18) 0.070 (2) 0.0009 (13) 0.0085 (14) 0.0098 (16)
C23 0.048 (2) 0.067 (3) 0.099 (3) 0.015 (2) 0.013 (2) 0.000 (2)
C24 0.042 (2) 0.092 (3) 0.095 (3) −0.005 (2) −0.006 (2) 0.032 (3)
O25 0.0371 (14) 0.136 (3) 0.096 (2) −0.0163 (16) −0.0023 (14) 0.056 (2)
C26 0.064 (3) 0.101 (4) 0.088 (3) −0.025 (3) −0.010 (2) 0.043 (3)
C27 0.040 (2) 0.095 (3) 0.060 (2) −0.003 (2) 0.0070 (17) 0.017 (2)