FILEID SAINT V8.42 4.00 04/30/26 15:09:02 rudi006 SITEID xray ? TITLE Integration of rudi006 SMAP 1 0 0 0 0 0 0 0 CHEM C10 H24 B11 Cl11 In CELL 15.4516 15.9289 16.4252 105.9974 114.8967 105.7155 3159.015 CELLSD 0.0005 0.0005 0.0006 0.0012 0.0010 0.0012 0.166 ORT1 2.3759225e-02 2.6834102e-02 7.2437122e-02 ORT2 -3.5058662e-02 4.3936405e-02 -8.9752683e-03 ORT3 -6.7415722e-02 -5.1576834e-02 -1.7244615e-02 ZEROS 0.0000000 -0.0371828 0.0230418 0.0314 0.1427 -0.3171 SOURCE CU 1.54184 1.54056 1.54439 2.00000 50.00 1.20 LIMITS 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 MORPH ? DNSMET ? CCOLOR colourless CSIZE 0.132 0.186 0.236 ? -173.150 ADPAR 773.9097 506.6284 3.9961 1024 1536 ADCOR -0.5977 -0.2186 -0.0006 -0.2603 -0.1934 0.5070 BRAVAIS Triclinic P MOSAIC 0.80 2.16 SAINTD 0 0.0000 0.0000 0 0 0.00000 SAINOV 124234 112147 74.7915 0.980255 0 0 0 SAINOV 124234 112147 74.7915 0.980255 1 0 0 SAINOV 124234 112147 74.7915 0.980255 1 1 1 SAINGL 9719 3.2206 74.4799 0 0 0 SAINGL 9719 3.2206 74.4799 1 0 0 SAINGL 9719 3.2206 74.4799 1 1 1 SAINMC 0 0 0 0.0000 0.0000 1 1 1 FACE -3.00 2.00 0.00 0.069 FACE -3.00 2.00 -3.00 0.078 FACE -3.00 -2.00 2.00 0.101 FACE -2.00 2.00 -3.00 0.080 FACE -2.00 -1.00 3.00 0.078 FACE -2.00 3.00 0.00 0.066 FACE -1.00 -2.00 0.00 0.103 FACE -1.00 3.00 -3.00 0.101 FACE -1.00 1.00 -1.00 0.080 FACE -1.00 -2.00 3.00 0.064 FACE -1.00 0.00 1.00 0.084 FACE 0.00 -2.00 1.00 0.067 FACE 1.00 2.00 0.00 0.082 FACE 1.00 -3.00 3.00 0.058 FACE 1.00 2.00 -3.00 0.103 FACE 2.00 -3.00 -3.00 0.059 FACE 2.00 -3.00 0.00 0.032 FACE 2.00 -3.00 -1.00 0.032 FACE 2.00 -3.00 1.00 0.032 FACE 3.00 -1.00 -3.00 0.085 FACE 3.00 -2.00 0.00 0.039 FACE 3.00 2.00 -2.00 0.058 FACE 3.00 2.00 -1.00 0.059 FACE 3.00 -2.00 1.00 0.040