There are 24 ligand heavy atoms
Ligand center of coords (x y z): 50.2124166666667 55.9698333333333 20.03275
Using crystallographic ligand as spheres for output
Starting number of spheres from sph/sph cluster 0: 915
FINISHED READING IN FILE sph/sph CLUSTER 0
Number of sphere points after cutting off spheres too far from center of ligand (10 angstroms): 729
Number of spheres after removing too far (>7 angstroms) and too close to receptor (<1.2 angstroms): 728
Number of spheres polar: 178, nonpolar: 454, out of current total: 728
Extents of grid to search are X1 X2 Y1 Y2 Z1 Z2: 40.30194 59.98117 45.99605 65.95604 10.27054 29.40612
Number of spheres after removing spheres too close to each other (approximately <1.5 angstroms): 236
Number of spheres after second pass removing spheres absolutely <0.8 from each other: 174
Crystallographic spheres are present, so doing continuity based on crystallographic spheres
After continuity checking, number of spheres is: 168
Spheres center of coords (x y z): 47.5947604166667 54.7142521428571 17.2560808928571
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: 5.64900403908357
Final number of output spheres is: 45
Number of polar spheres: 12
Number of nonpolar spheres: 31
Number of spheres that are near neither polar nor nonpolar receptor atoms: 2
Final number of spheres that are from crystallographic ligand: 24