There are 33 ligand heavy atoms
Ligand center of coords (x y z): 114.671 66.1135151515151 10.5548181818182
Using crystallographic ligand as spheres for output
Starting number of spheres from sph/sph cluster 0: 1143
FINISHED READING IN FILE sph/sph CLUSTER 0
Number of sphere points after cutting off spheres too far from center of ligand (10 angstroms): 618
Number of spheres after removing too far (>7 angstroms) and too close to receptor (<1.2 angstroms): 618
Number of spheres polar: 129, nonpolar: 336, out of current total: 618
Extents of grid to search are X1 X2 Y1 Y2 Z1 Z2: 104.83763 124.49605 56.12723 76.04212 0.59065 20.49169
Number of spheres after removing spheres too close to each other (approximately <1.5 angstroms): 205
Number of spheres after second pass removing spheres absolutely <0.8 from each other: 172
Crystallographic spheres are present, so doing continuity based on crystallographic spheres
After continuity checking, number of spheres is: 149
Spheres center of coords (x y z): 112.507288456376 65.7393183221476 11.4642324832215
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: 3.74906099765092
Final number of output spheres is: 45
Number of polar spheres: 9
Number of nonpolar spheres: 33
Number of spheres that are near neither polar nor nonpolar receptor atoms: 3
Final number of spheres that are from crystallographic ligand: 33