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. 2014 Mar 5;70(Pt 4):o395–o396. doi: 10.1107/S1600536814004577
U11 U22 U33 U12 U13 U23
Cl1A 0.0795 (8) 0.0702 (9) 0.0648 (7) −0.0410 (7) 0.0372 (6) −0.0300 (7)
S1A 0.0496 (6) 0.0487 (7) 0.0280 (4) −0.0144 (5) 0.0162 (4) −0.0073 (4)
O1A 0.071 (2) 0.0453 (18) 0.0434 (15) −0.0149 (16) 0.0283 (15) −0.0155 (14)
O2A 0.0490 (17) 0.079 (2) 0.0356 (14) −0.0096 (17) 0.0026 (13) −0.0031 (15)
O3A 0.0645 (19) 0.065 (2) 0.0391 (15) −0.0277 (17) 0.0270 (14) −0.0083 (14)
C23A 0.053 (2) 0.038 (2) 0.0353 (19) −0.017 (2) 0.0216 (18) −0.0094 (18)
C24A 0.060 (3) 0.030 (2) 0.044 (2) 0.000 (2) 0.032 (2) 0.0002 (19)
C25A 0.047 (2) 0.043 (3) 0.0308 (18) 0.004 (2) 0.0203 (17) 0.0016 (18)
C26A 0.038 (2) 0.036 (2) 0.0213 (15) −0.0057 (18) 0.0139 (14) −0.0020 (15)
C27A 0.052 (2) 0.032 (2) 0.040 (2) 0.005 (2) 0.0160 (19) 0.0017 (18)
C28A 0.040 (2) 0.055 (3) 0.046 (2) −0.002 (2) 0.0107 (19) −0.006 (2)
N1A 0.0411 (18) 0.054 (2) 0.0299 (15) −0.0039 (18) 0.0160 (14) 0.0051 (16)
N2A 0.099 (3) 0.095 (4) 0.047 (2) 0.049 (3) 0.027 (2) 0.018 (2)
C1A 0.035 (2) 0.048 (3) 0.0354 (19) −0.010 (2) 0.0100 (16) 0.0043 (19)
C2A 0.050 (3) 0.064 (3) 0.051 (2) −0.001 (3) 0.026 (2) 0.006 (2)
C3A 0.056 (3) 0.070 (4) 0.070 (3) 0.003 (3) 0.030 (3) 0.007 (3)
C4A 0.049 (3) 0.054 (3) 0.064 (3) −0.002 (2) 0.014 (2) 0.011 (3)
C5A 0.039 (2) 0.063 (3) 0.043 (2) −0.008 (2) 0.0005 (19) 0.014 (2)
C6A 0.036 (2) 0.058 (3) 0.037 (2) −0.014 (2) 0.0114 (17) −0.002 (2)
C7A 0.048 (2) 0.068 (3) 0.0252 (18) −0.011 (2) 0.0063 (17) 0.008 (2)
C8A 0.052 (2) 0.063 (3) 0.0303 (19) 0.001 (2) 0.0139 (18) 0.007 (2)
C9A 0.034 (2) 0.051 (3) 0.0316 (18) −0.010 (2) 0.0125 (16) −0.0017 (18)
C10A 0.044 (2) 0.053 (3) 0.0271 (18) −0.008 (2) 0.0129 (17) 0.0007 (18)
C11A 0.044 (2) 0.059 (3) 0.0250 (17) −0.012 (2) 0.0087 (16) 0.0010 (18)
C12A 0.041 (2) 0.048 (3) 0.0304 (18) −0.004 (2) 0.0112 (16) 0.0003 (18)
C13A 0.051 (2) 0.059 (3) 0.0266 (18) 0.003 (2) 0.0123 (17) 0.0004 (19)
C14A 0.062 (3) 0.060 (3) 0.034 (2) 0.011 (3) 0.019 (2) −0.001 (2)
C15A 0.057 (3) 0.056 (3) 0.039 (2) 0.006 (2) 0.013 (2) 0.003 (2)
C16A 0.058 (3) 0.057 (3) 0.0323 (19) 0.000 (2) 0.0169 (19) 0.006 (2)
C17A 0.044 (2) 0.059 (3) 0.0317 (19) 0.000 (2) 0.0153 (17) 0.001 (2)
C18A 0.087 (4) 0.068 (4) 0.055 (3) 0.025 (3) 0.020 (3) 0.024 (3)
C19A 0.077 (3) 0.093 (5) 0.048 (3) 0.008 (3) 0.021 (3) 0.033 (3)
C20A 0.061 (7) 0.045 (5) 0.051 (5) 0.011 (6) 0.008 (4) 0.007 (4)
C21A 0.089 (7) 0.055 (6) 0.069 (7) 0.016 (5) 0.013 (5) 0.000 (5)
C20X 0.054 (9) 0.038 (10) 0.051 (10) −0.011 (8) 0.014 (7) 0.000 (8)
C21X 0.056 (12) 0.060 (12) 0.060 (10) 0.004 (9) 0.026 (8) 0.009 (8)
C22A 0.066 (3) 0.074 (4) 0.036 (2) 0.007 (3) 0.028 (2) 0.011 (2)
Cl1B 0.0747 (8) 0.0558 (8) 0.0571 (6) 0.0224 (7) 0.0284 (6) −0.0002 (6)
S1B 0.0768 (8) 0.0564 (8) 0.0458 (6) 0.0258 (7) 0.0285 (6) 0.0085 (6)
O1B 0.069 (3) 0.111 (4) 0.102 (3) 0.033 (3) 0.059 (3) 0.043 (3)
O2B 0.122 (4) 0.082 (3) 0.048 (2) 0.061 (3) 0.020 (2) −0.009 (2)
O3B 0.077 (3) 0.060 (3) 0.0453 (19) 0.021 (2) 0.0270 (18) 0.0125 (18)
C23B 0.055 (3) 0.038 (2) 0.0343 (19) 0.011 (2) 0.0236 (19) 0.0012 (18)
C24B 0.050 (3) 0.052 (3) 0.053 (2) −0.004 (2) 0.019 (2) −0.015 (2)
C25B 0.065 (3) 0.035 (2) 0.057 (3) −0.004 (2) 0.030 (2) −0.011 (2)
C26B 0.051 (2) 0.042 (3) 0.0334 (19) 0.003 (2) 0.0192 (18) 0.0005 (18)
C27B 0.051 (2) 0.049 (3) 0.043 (2) −0.004 (2) 0.0179 (19) −0.011 (2)
C28B 0.062 (3) 0.033 (2) 0.047 (2) −0.005 (2) 0.030 (2) −0.0081 (19)
N1B 0.050 (2) 0.045 (2) 0.049 (2) 0.0006 (19) 0.0180 (16) −0.0041 (17)
N2B 0.111 (4) 0.154 (5) 0.045 (2) −0.086 (4) 0.039 (2) −0.033 (3)
C1B 0.037 (2) 0.037 (3) 0.067 (3) 0.003 (2) 0.015 (2) 0.003 (2)
C2B 0.052 (3) 0.064 (4) 0.066 (3) 0.000 (3) 0.007 (2) −0.010 (3)
C3B 0.055 (3) 0.062 (4) 0.094 (4) −0.006 (3) 0.006 (3) −0.013 (3)
C4B 0.049 (3) 0.048 (3) 0.118 (5) −0.005 (3) 0.018 (3) −0.008 (4)
C5B 0.054 (3) 0.049 (3) 0.101 (4) 0.000 (3) 0.035 (3) 0.008 (3)
C6B 0.043 (2) 0.046 (3) 0.071 (3) 0.010 (2) 0.020 (2) −0.005 (2)
C7B 0.067 (3) 0.058 (3) 0.065 (3) 0.003 (3) 0.038 (3) 0.006 (3)
C8B 0.063 (3) 0.047 (3) 0.057 (3) −0.011 (2) 0.030 (2) 0.000 (2)
C9B 0.050 (2) 0.035 (2) 0.044 (2) 0.004 (2) 0.0179 (19) −0.0065 (19)
C10B 0.052 (2) 0.042 (3) 0.043 (2) −0.003 (2) 0.0211 (19) 0.000 (2)
C11B 0.064 (3) 0.046 (3) 0.045 (2) −0.005 (2) 0.030 (2) −0.002 (2)
C12B 0.055 (2) 0.039 (3) 0.045 (2) −0.003 (2) 0.0257 (19) −0.0014 (19)
C13B 0.073 (3) 0.063 (3) 0.044 (2) −0.019 (3) 0.029 (2) −0.010 (2)
C14B 0.064 (3) 0.070 (4) 0.039 (2) −0.013 (3) 0.025 (2) −0.009 (2)
C15B 0.066 (3) 0.084 (4) 0.042 (2) −0.030 (3) 0.026 (2) −0.014 (2)
C16B 0.088 (4) 0.096 (4) 0.040 (2) −0.040 (3) 0.036 (2) −0.018 (3)
C17B 0.063 (3) 0.057 (3) 0.040 (2) −0.011 (3) 0.021 (2) −0.013 (2)
C18B 0.035 (5) 0.045 (7) 0.048 (6) −0.016 (5) 0.027 (4) −0.013 (5)
C19B 0.091 (9) 0.045 (9) 0.036 (6) −0.021 (7) 0.016 (7) 0.003 (5)
C18Y 0.101 (12) 0.045 (10) 0.081 (13) −0.007 (9) 0.043 (11) −0.007 (9)
C19Y 0.082 (10) 0.108 (11) 0.061 (7) −0.012 (8) 0.035 (7) 0.011 (7)
C20B 0.056 (3) 0.085 (4) 0.053 (3) −0.021 (3) 0.019 (2) −0.020 (3)
C21B 0.072 (3) 0.073 (4) 0.068 (3) −0.008 (3) 0.017 (3) −0.003 (3)
C22B 0.081 (3) 0.069 (4) 0.048 (3) −0.011 (3) 0.020 (2) −0.003 (2)
O1WA 0.0540 (19) 0.072 (2) 0.074 (2) 0.0148 (18) 0.0227 (17) 0.0020 (19)
O1WB 0.103 (4) 0.110 (4) 0.169 (5) 0.040 (3) 0.036 (3) 0.045 (4)