3sn8 8.13 0.21715 0.27047 0.2207 0.2719 0.0068 0.2586 -1.96 0.2058 0.2490 0.0063 0.2411 -1.25 0.2061 0.2531 0.0064 0.2415 -1.81 1.1717 0.30 0.03 0.03 19 0 0 15 12 NA 0 -0.229 -0.120 -0.086 -1.011 -0.912 -0.586 -2.612 -1.843 -1.560 -3.170 -1.543 -1.100 -0.180 -0.147 -0.141 1.285 0.296 0.292 0.956 0.536 0.524 14 6 11 17 16 17 NA NA NA REFMAC_5.0 2011 1.99 1.99 32.82 31388 1579 5.0 1579 11.4 107.75 82.88 53.5 90 104.63 90 33.18 39.88 ISOT SIMP 1.1 0.8 0.8 1 1 REDO 0 0 'C 1 2 1' 3 0 6 0 0.006 0.001 0.002 0.866 0.879 0.875 1.99 0.931 0.940 8.81 0.903 0.915 1.94 0.91841 0 63.49 X-ray 99.8 0 0 1 0 2025-02-17 3 0 21 41 30 70 53 68 68 85 20 25 NA NA NA 38 45 0 0 0.494 0.476 0.485 0.526 0.542 0.526 0.0480 -1.25 -0.80 -1.17 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 0.9620 0.9410 0.9674 0.9510 0.9680 0.9513 F 1.5 68 0 8562.7
