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. 2012 Feb 29;68(Pt 3):o917–o918. doi: 10.1107/S1600536812008264
U11 U22 U33 U12 U13 U23
Cl1A 0.0387 (13) 0.0396 (13) 0.0439 (14) −0.0159 (12) 0.0199 (12) −0.0048 (10)
Cl2A 0.0275 (12) 0.0305 (12) 0.0457 (14) −0.0121 (10) 0.0072 (11) −0.0151 (10)
Cl3A 0.0334 (14) 0.0387 (12) 0.0377 (13) −0.0066 (10) 0.0120 (11) −0.0170 (9)
C1A 0.019 (5) 0.010 (4) 0.027 (5) −0.004 (4) −0.006 (4) 0.003 (3)
C2A 0.024 (5) 0.019 (4) 0.032 (4) 0.002 (4) 0.009 (4) 0.008 (3)
C3A 0.027 (5) 0.022 (4) 0.029 (5) 0.002 (4) 0.009 (4) −0.001 (3)
C4A 0.013 (4) 0.014 (4) 0.037 (5) −0.001 (3) 0.006 (4) −0.004 (4)
C5A 0.018 (5) 0.022 (4) 0.030 (5) −0.006 (4) 0.007 (4) 0.000 (3)
C6A 0.022 (5) 0.022 (5) 0.029 (5) 0.003 (4) 0.006 (4) 0.004 (4)
N7A 0.020 (4) 0.011 (4) 0.030 (4) −0.005 (3) 0.003 (3) −0.002 (3)
C8A 0.016 (5) 0.025 (4) 0.026 (5) 0.005 (4) 0.009 (4) −0.004 (4)
C9A 0.021 (5) 0.017 (4) 0.025 (4) 0.007 (4) 0.003 (4) 0.002 (3)
C10A 0.024 (5) 0.013 (4) 0.027 (4) −0.006 (4) 0.006 (4) −0.005 (3)
N11A 0.025 (4) 0.009 (3) 0.041 (4) 0.001 (3) 0.001 (3) −0.002 (3)
N12A 0.014 (4) 0.013 (4) 0.056 (5) 0.007 (3) −0.005 (4) 0.003 (3)
C13A 0.021 (5) 0.027 (5) 0.018 (4) −0.001 (4) 0.004 (4) 0.001 (3)
O14A 0.023 (3) 0.019 (3) 0.044 (4) −0.010 (3) 0.001 (3) −0.004 (3)
O15A 0.025 (3) 0.023 (3) 0.045 (3) 0.002 (3) −0.011 (3) 0.002 (3)
C16A 0.018 (5) 0.042 (5) 0.056 (6) −0.006 (4) −0.005 (4) 0.004 (5)
C17A 0.053 (9) 0.068 (9) 0.051 (9) −0.009 (7) 0.006 (7) 0.005 (7)
C17C 0.063 (10) 0.068 (10) 0.050 (9) −0.009 (8) 0.007 (8) 0.008 (8)
C18A 0.027 (6) 0.018 (4) 0.029 (5) 0.000 (4) −0.005 (4) 0.002 (4)
C19A 0.021 (5) 0.020 (4) 0.032 (5) 0.008 (4) 0.005 (4) −0.005 (4)
C20A 0.030 (6) 0.024 (5) 0.024 (5) −0.012 (4) −0.007 (4) 0.007 (4)
N21A 0.033 (5) 0.016 (4) 0.039 (5) 0.000 (4) −0.007 (4) 0.004 (3)
C22A 0.027 (6) 0.021 (5) 0.054 (6) 0.005 (4) −0.005 (5) 0.005 (4)
C23A 0.025 (6) 0.021 (5) 0.043 (6) 0.000 (4) 0.004 (4) −0.006 (4)
Cl1B 0.0287 (12) 0.0421 (14) 0.0483 (14) 0.0136 (12) −0.0044 (12) −0.0069 (11)
Cl2B 0.0289 (12) 0.0296 (12) 0.0467 (14) 0.0048 (11) 0.0115 (11) −0.0152 (10)
Cl3B 0.0312 (14) 0.0560 (15) 0.0439 (15) 0.0066 (11) −0.0003 (11) −0.0287 (11)
C1B 0.012 (4) 0.018 (4) 0.032 (5) −0.006 (3) 0.007 (4) −0.001 (3)
C2B 0.016 (4) 0.021 (3) 0.030 (4) 0.010 (3) 0.004 (3) 0.002 (3)
C3B 0.028 (5) 0.022 (4) 0.031 (5) 0.003 (4) 0.013 (4) −0.003 (3)
C4B 0.031 (5) 0.012 (4) 0.031 (5) 0.005 (4) 0.018 (4) 0.001 (3)
C5B 0.021 (5) 0.030 (5) 0.027 (5) −0.003 (4) 0.007 (4) −0.005 (3)
C6B 0.032 (6) 0.014 (4) 0.022 (5) −0.010 (4) 0.004 (4) −0.012 (3)
N7B 0.023 (4) 0.009 (3) 0.040 (4) −0.007 (3) 0.017 (3) −0.004 (3)
C8B 0.026 (5) 0.018 (4) 0.029 (5) −0.003 (4) 0.012 (4) 0.000 (4)
C9B 0.009 (4) 0.016 (4) 0.034 (5) 0.009 (3) 0.005 (4) −0.002 (4)
C10B 0.014 (5) 0.012 (4) 0.027 (5) −0.005 (4) 0.001 (4) −0.005 (3)
N11B 0.022 (4) 0.011 (3) 0.033 (4) −0.006 (3) 0.007 (3) −0.004 (3)
N12B 0.044 (5) 0.015 (4) 0.049 (5) 0.001 (3) 0.025 (4) −0.003 (3)
C13B 0.016 (5) 0.017 (4) 0.029 (5) −0.006 (3) −0.001 (4) −0.003 (3)
O14B 0.025 (3) 0.017 (3) 0.038 (3) 0.003 (2) 0.012 (3) 0.001 (2)
O15B 0.029 (3) 0.016 (3) 0.040 (3) 0.001 (2) 0.019 (3) 0.004 (2)
C16B 0.027 (5) 0.028 (4) 0.042 (5) 0.003 (4) 0.025 (4) 0.005 (4)
C17B 0.044 (6) 0.121 (10) 0.052 (7) 0.009 (6) 0.024 (5) 0.005 (7)
C18B 0.025 (6) 0.015 (4) 0.019 (5) 0.003 (4) 0.008 (4) 0.003 (3)
C19B 0.028 (5) 0.023 (4) 0.023 (5) 0.004 (4) 0.009 (4) 0.001 (4)
C20B 0.047 (7) 0.022 (5) 0.039 (6) 0.013 (5) 0.002 (5) 0.005 (4)
N21B 0.047 (5) 0.026 (4) 0.035 (5) 0.001 (4) 0.019 (4) −0.001 (3)
C22B 0.029 (5) 0.019 (4) 0.032 (5) −0.004 (4) 0.009 (4) −0.011 (4)
C23B 0.024 (5) 0.010 (4) 0.038 (5) 0.004 (4) 0.016 (4) 0.001 (4)
S1 0.059 (2) 0.0423 (18) 0.043 (2) 0.0101 (15) 0.0180 (17) 0.0031 (14)
S1A 0.060 (6) 0.043 (5) 0.057 (7) −0.005 (4) 0.025 (5) −0.008 (4)
O4L 0.083 (5) 0.039 (4) 0.140 (7) 0.005 (4) 0.066 (5) 0.004 (4)
C2L 0.067 (7) 0.037 (5) 0.114 (9) 0.012 (5) 0.031 (7) 0.005 (5)
C3L 0.060 (6) 0.072 (7) 0.093 (8) 0.016 (6) 0.049 (6) 0.009 (6)