There are 25 ligand heavy atoms Ligand center of coords (x y z): -9.06364 -7.1446 55.8626 Using crystallographic ligand as spheres for output Starting number of spheres from sph/sph cluster 0: 1289 FINISHED READING IN FILE sph/sph CLUSTER 0 Number of sphere points after cutting off spheres too far from center of ligand (10 angstroms): 869 Number of spheres after removing too far (>7 angstroms) and too close to receptor (<1.2 angstroms): 869 Number of spheres polar: 173, nonpolar: 581, out of current total: 869 Extents of grid to search are X1 X2 Y1 Y2 Z1 Z2: -18.90145 0.92697 -16.95324 2.83272 45.86319 65.85373 Number of spheres after removing spheres too close to each other (approximately <1.5 angstroms): 247 Number of spheres after second pass removing spheres absolutely <0.8 from each other: 214 Crystallographic spheres are present, so doing continuity based on crystallographic spheres After continuity checking, number of spheres is: 181 Spheres center of coords (x y z): -10.2737363535912 -9.58045127071823 57.6383917127072 Crystallographic ligand, so keeping spheres closest to ANY ligand atom, center of ligand (1/8), and center of spheres (1/8) Average weighted-distance for final elimination is: 5.40828286852775 Final number of output spheres is: 45 Number of polar spheres: 4 Number of nonpolar spheres: 37 Number of spheres that are near neither polar nor nonpolar receptor atoms: 4 Final number of spheres that are from crystallographic ligand: 25