Skip to main content
. 2012 May 19;68(Pt 6):o1781. doi: 10.1107/S1600536812017795
U11 U22 U33 U12 U13 U23
N1 0.0452 (19) 0.0620 (19) 0.055 (2) −0.0041 (16) 0.0069 (15) 0.0034 (16)
N2 0.050 (2) 0.103 (3) 0.0281 (18) −0.0168 (18) 0.0040 (15) −0.0049 (18)
O1 0.0581 (18) 0.121 (2) 0.0312 (16) −0.0092 (16) 0.0058 (13) 0.0028 (15)
C1 0.044 (2) 0.074 (3) 0.038 (3) 0.0028 (19) 0.0038 (18) −0.0093 (19)
C2 0.045 (2) 0.063 (2) 0.037 (2) 0.0000 (18) 0.0044 (17) −0.0100 (17)
C3 0.054 (3) 0.068 (2) 0.049 (2) −0.003 (2) −0.003 (2) −0.0019 (19)
C4 0.051 (3) 0.073 (3) 0.068 (3) 0.004 (2) −0.011 (2) −0.003 (2)
C5 0.046 (3) 0.058 (2) 0.082 (3) −0.005 (2) 0.007 (2) −0.015 (2)
C6 0.062 (3) 0.069 (3) 0.054 (3) −0.011 (2) 0.011 (2) −0.003 (2)
C7 0.047 (2) 0.078 (3) 0.040 (2) 0.001 (2) 0.0022 (17) 0.000 (2)
C8 0.061 (3) 0.080 (3) 0.126 (5) −0.009 (2) 0.010 (3) −0.005 (3)
C9 0.047 (2) 0.080 (3) 0.032 (2) −0.009 (2) 0.0050 (16) −0.0006 (18)
C10 0.058 (3) 0.070 (3) 0.056 (3) 0.016 (2) 0.0031 (19) 0.010 (2)
C11 0.066 (3) 0.057 (2) 0.059 (3) −0.004 (2) 0.010 (2) 0.010 (2)
C12 0.086 (3) 0.064 (3) 0.070 (3) −0.005 (2) 0.012 (2) −0.013 (2)
C13 0.082 (3) 0.090 (3) 0.046 (3) −0.009 (3) 0.003 (2) −0.010 (2)
C14 0.054 (3) 0.087 (3) 0.064 (3) −0.010 (2) −0.010 (2) 0.015 (2)
C15 0.047 (2) 0.063 (2) 0.056 (3) 0.0041 (19) 0.0013 (18) 0.0006 (19)
C16 0.059 (3) 0.059 (2) 0.041 (2) −0.0020 (18) 0.0070 (17) −0.0030 (17)
C17 0.063 (3) 0.097 (3) 0.095 (4) −0.017 (3) 0.015 (3) 0.003 (3)
N3 0.056 (2) 0.082 (2) 0.044 (2) 0.0203 (19) 0.0089 (15) −0.0063 (17)
N4 0.048 (2) 0.083 (2) 0.0340 (19) 0.0071 (16) 0.0073 (15) 0.0019 (16)
O2 0.0605 (19) 0.135 (3) 0.0301 (16) 0.0110 (17) 0.0112 (13) −0.0036 (16)
C18 0.044 (2) 0.068 (2) 0.043 (2) −0.0034 (18) 0.0063 (18) 0.0051 (19)
C19 0.044 (2) 0.058 (2) 0.041 (2) −0.0037 (17) 0.0076 (17) 0.0080 (18)
C20 0.044 (2) 0.073 (3) 0.045 (2) −0.005 (2) −0.0009 (17) −0.004 (2)
C21 0.056 (3) 0.071 (2) 0.054 (3) 0.002 (2) 0.010 (2) −0.008 (2)
C22 0.046 (2) 0.053 (2) 0.069 (3) −0.0010 (18) 0.007 (2) 0.005 (2)
C23 0.052 (3) 0.070 (3) 0.067 (3) 0.002 (2) −0.014 (2) 0.000 (2)
C24 0.054 (3) 0.067 (2) 0.046 (2) 0.006 (2) −0.0058 (19) −0.0047 (19)
C25 0.063 (3) 0.082 (3) 0.109 (4) 0.012 (3) 0.009 (3) −0.009 (3)
C26 0.043 (2) 0.064 (2) 0.041 (2) 0.0059 (18) 0.0099 (16) 0.0014 (18)
C27 0.048 (2) 0.058 (2) 0.048 (2) 0.0019 (18) 0.0087 (17) −0.0035 (18)
C28 0.048 (2) 0.076 (3) 0.042 (2) 0.002 (2) 0.0009 (17) −0.004 (2)
C29 0.070 (3) 0.108 (4) 0.049 (3) 0.025 (3) −0.015 (2) −0.016 (3)
C30 0.116 (4) 0.099 (4) 0.048 (3) 0.021 (3) 0.010 (3) 0.014 (3)
C31 0.126 (5) 0.076 (3) 0.064 (3) 0.028 (3) 0.013 (3) 0.011 (3)
C32 0.086 (3) 0.059 (2) 0.052 (3) 0.013 (2) 0.010 (2) −0.0075 (19)
C33 0.070 (3) 0.069 (2) 0.051 (2) −0.013 (2) 0.008 (2) −0.005 (2)
C34 0.076 (4) 0.146 (5) 0.078 (4) 0.051 (4) 0.005 (3) −0.015 (3)
N5 0.057 (2) 0.072 (2) 0.0435 (19) 0.0100 (17) −0.0014 (15) −0.0080 (17)
N6 0.054 (2) 0.082 (2) 0.0374 (19) 0.0109 (18) 0.0061 (16) −0.0024 (18)
O3 0.0744 (19) 0.100 (2) 0.0400 (18) 0.0044 (16) 0.0157 (14) −0.0029 (15)
C35 0.057 (3) 0.060 (2) 0.049 (3) −0.002 (2) 0.014 (2) 0.0064 (19)
C36 0.052 (2) 0.055 (2) 0.054 (3) −0.0003 (19) 0.0161 (18) 0.0068 (19)
C37 0.057 (3) 0.058 (2) 0.065 (3) 0.000 (2) 0.012 (2) 0.003 (2)
C38 0.055 (3) 0.066 (2) 0.076 (3) −0.008 (2) 0.003 (2) 0.000 (2)
C39 0.049 (3) 0.069 (3) 0.082 (3) −0.001 (2) 0.014 (2) 0.012 (3)
C40 0.073 (3) 0.069 (3) 0.081 (4) 0.012 (2) 0.034 (3) 0.001 (2)
C41 0.064 (3) 0.072 (3) 0.064 (3) 0.004 (2) 0.020 (2) −0.001 (2)
C42 0.061 (3) 0.114 (4) 0.131 (5) 0.012 (3) 0.008 (3) 0.004 (4)
C43 0.054 (3) 0.064 (2) 0.048 (2) 0.0013 (19) 0.0100 (18) 0.0045 (18)
C44 0.070 (3) 0.068 (3) 0.068 (3) −0.007 (2) 0.012 (2) 0.009 (2)
C45 0.075 (3) 0.067 (2) 0.034 (2) 0.010 (2) 0.0103 (19) 0.0074 (18)
C46 0.095 (4) 0.058 (3) 0.084 (4) 0.009 (2) 0.008 (3) −0.007 (2)
C47 0.115 (4) 0.081 (3) 0.051 (3) 0.025 (3) 0.016 (3) −0.014 (2)
C48 0.077 (3) 0.097 (3) 0.059 (3) 0.025 (3) 0.025 (2) 0.008 (2)
C49 0.057 (3) 0.063 (2) 0.061 (3) 0.001 (2) 0.009 (2) 0.003 (2)
C50 0.060 (3) 0.061 (2) 0.061 (3) 0.005 (2) 0.012 (2) 0.007 (2)
C51 0.073 (3) 0.105 (4) 0.078 (4) 0.021 (3) −0.015 (3) −0.017 (3)