There are 26 ligand heavy atoms
Ligand center of coords (x y z): 30.9885769230769 -22.2836153846154 -16.5072307692308
Using crystallographic ligand as spheres for output
Starting number of spheres from sph/sph cluster 0: 1585
FINISHED READING IN FILE sph/sph CLUSTER 0
Number of sphere points after cutting off spheres too far from center of ligand (10 angstroms): 658
Number of spheres after removing too far (>7 angstroms) and too close to receptor (<1.2 angstroms): 658
Number of spheres polar: 81, nonpolar: 436, out of current total: 658
Extents of grid to search are X1 X2 Y1 Y2 Z1 Z2: 21.00423 40.97201 -30.59525 -12.31351 -26.39712 -6.73122
Number of spheres after removing spheres too close to each other (approximately <1.5 angstroms): 190
Number of spheres after second pass removing spheres absolutely <0.8 from each other: 155
Crystallographic spheres are present, so doing continuity based on crystallographic spheres
After continuity checking, number of spheres is: 129
Spheres center of coords (x y z): 29.5603360465116 -20.8263768217054 -18.4360089922481
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: 5.41510299024182
Final number of output spheres is: 45
Number of polar spheres: 4
Number of nonpolar spheres: 35
Number of spheres that are near neither polar nor nonpolar receptor atoms: 6
Final number of spheres that are from crystallographic ligand: 26