3tiu 8.13 0.18258 0.2362 0.1885 0.2334 0.0064 0.2231 -1.61 0.1814 0.2207 0.0061 0.2147 -0.98 0.1816 0.2194 0.0060 0.2149 -0.75 1.1835 0.10 0.01 0.01 15 0 0 9 10 NA 0 -0.064 -0.171 -0.170 -0.567 -0.473 -0.425 -1.479 -0.849 -0.916 -2.221 -0.531 -0.082 -0.367 -0.291 -0.247 1.141 0.179 0.175 0.879 0.441 0.423 15 4 6 17 19 16 NA NA NA REFMAC_5.5.0110 2011 2.08 2.08 30.57 26205 1320 5.0 1320 9.0 107.85 82.33 53.32 90 104.46 90 27.11 35.25 ISOT SIMP 1.0 0.7 0.7 1 2 REDO 1 0 'C 1 2 1' 2 0 4 3 0.003 0.001 0.001 0.875 0.873 0.872 2.08 0.941 0.947 6.15 0.910 0.921 1.75 0.91840 0 62.81 X-ray 96.5 0 0 1 0 2025-02-19 3 0 43 58 46 88 69 73 81 90 25 23 NA NA NA 46 41 0 0 0.515 0.499 0.492 0.536 0.534 0.541 0.0536 -1.02 -0.62 -0.46 T F 0 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 0.9729 0.9583 0.9744 0.9627 0.9745 0.9631 F 1.4 61 0 7360.3
