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. 2017 Nov 3;73(Pt 12):1820–1822. doi: 10.1107/S2056989017015778
U11 U22 U33 U12 U13 U23
S1 0.01528 (13) 0.01090 (13) 0.01511 (13) −0.00706 (10) −0.00348 (10) 0.00176 (10)
C2 0.0104 (5) 0.0097 (5) 0.0145 (5) −0.0042 (4) −0.0008 (4) 0.0002 (4)
N3 0.0147 (4) 0.0121 (4) 0.0126 (4) −0.0060 (4) −0.0022 (3) 0.0015 (3)
C3A 0.0114 (5) 0.0121 (5) 0.0137 (5) −0.0038 (4) −0.0004 (4) 0.0013 (4)
C4 0.0173 (5) 0.0168 (5) 0.0156 (5) −0.0069 (4) −0.0032 (4) 0.0016 (4)
C5 0.0184 (6) 0.0200 (6) 0.0148 (5) −0.0059 (5) −0.0029 (4) 0.0046 (4)
C6 0.0188 (6) 0.0156 (6) 0.0195 (6) −0.0062 (5) −0.0020 (5) 0.0059 (4)
C7 0.0174 (5) 0.0130 (5) 0.0198 (6) −0.0067 (4) −0.0021 (4) 0.0038 (4)
C7A 0.0124 (5) 0.0122 (5) 0.0143 (5) −0.0042 (4) −0.0013 (4) 0.0020 (4)
C8 0.0114 (5) 0.0092 (5) 0.0130 (5) −0.0041 (4) −0.0016 (4) −0.0003 (4)
C9 0.0108 (5) 0.0108 (5) 0.0139 (5) −0.0041 (4) −0.0017 (4) −0.0015 (4)
C10 0.0140 (5) 0.0127 (5) 0.0123 (5) −0.0049 (4) −0.0032 (4) −0.0008 (4)
C11 0.0133 (5) 0.0126 (5) 0.0108 (5) −0.0039 (4) −0.0023 (4) −0.0005 (4)
C12 0.0115 (5) 0.0105 (5) 0.0113 (5) −0.0044 (4) −0.0007 (4) 0.0004 (4)
C13 0.0178 (5) 0.0139 (5) 0.0172 (6) −0.0060 (4) −0.0053 (4) 0.0001 (4)
C14 0.0149 (6) 0.0276 (8) 0.0685 (12) −0.0089 (6) −0.0016 (7) −0.0143 (8)
S2 0.01854 (14) 0.00982 (12) 0.01155 (13) −0.00509 (10) −0.00151 (10) −0.00011 (9)
S3 0.01584 (13) 0.01206 (13) 0.01707 (14) −0.00662 (10) −0.00418 (10) −0.00170 (10)
O1 0.0234 (4) 0.0140 (4) 0.0126 (4) −0.0076 (3) −0.0040 (3) 0.0024 (3)
O2 0.0211 (4) 0.0179 (4) 0.0164 (4) −0.0061 (4) 0.0033 (3) 0.0016 (3)
O3 0.0315 (5) 0.0121 (4) 0.0181 (4) −0.0088 (4) −0.0089 (4) −0.0005 (3)
N1 0.0155 (5) 0.0092 (4) 0.0131 (4) −0.0067 (4) −0.0018 (4) 0.0001 (3)
N2 0.0153 (4) 0.0090 (4) 0.0108 (4) −0.0063 (3) −0.0028 (3) 0.0000 (3)
N4 0.0237 (5) 0.0127 (5) 0.0129 (5) −0.0107 (4) −0.0062 (4) 0.0025 (4)
N5 0.0317 (6) 0.0252 (6) 0.0212 (6) −0.0117 (5) −0.0121 (5) 0.0009 (5)
C15 0.0168 (5) 0.0100 (5) 0.0139 (5) −0.0038 (4) −0.0017 (4) 0.0002 (4)
C16 0.0190 (6) 0.0137 (5) 0.0177 (6) −0.0080 (4) −0.0046 (4) 0.0019 (4)
C17 0.0210 (6) 0.0139 (5) 0.0172 (6) −0.0073 (5) −0.0030 (4) 0.0025 (4)
C18 0.0171 (5) 0.0147 (5) 0.0152 (5) −0.0013 (4) −0.0026 (4) −0.0005 (4)
C19 0.0130 (5) 0.0194 (6) 0.0208 (6) −0.0040 (4) −0.0030 (4) −0.0009 (5)
C20 0.0145 (5) 0.0151 (5) 0.0190 (6) −0.0054 (4) 0.0001 (4) −0.0003 (4)
C21 0.0214 (6) 0.0284 (7) 0.0198 (6) −0.0041 (5) −0.0063 (5) 0.0065 (5)
C97 0.0417 (9) 0.0361 (8) 0.0130 (6) −0.0163 (7) −0.0027 (6) 0.0032 (5)
C98 0.0233 (7) 0.0561 (11) 0.0247 (7) −0.0136 (7) −0.0018 (6) −0.0001 (7)
C99 0.0228 (6) 0.0182 (6) 0.0164 (6) −0.0094 (5) −0.0045 (5) 0.0006 (4)
N99 0.0238 (5) 0.0229 (5) 0.0126 (5) −0.0098 (4) −0.0021 (4) 0.0011 (4)
O99 0.0248 (5) 0.0228 (5) 0.0127 (4) −0.0153 (4) −0.0016 (3) −0.0004 (3)