DOCK 5.2 ligand_atoms
positive                       (1)
negative                       (2)
acceptor                       (3)
donor                          (4)
ester_o                        (5)
amide_o                        (6)
neutral                        (7)
not_neutral                    (8)
positive_or_donor              (9)
negative_or_acceptor           (10)
neutral_or_acceptor_or_donor   (11)
donacc                         (12)
cluster     1   number of spheres in cluster    20
 9001  28.47900  31.45000  27.66000   0.000    0 0  7          
 9002  27.14300  31.04700  28.23000   0.000    0 0  7          
 9003  26.89300  28.68100  27.48800   0.000    0 0  7          
 9004  26.46900  29.81100  28.13000   0.000    0 0  7          
 9005  20.62100  24.83200  27.37700   0.000    0 0  0          
 9006  26.01500  27.69200  27.55400   0.000    0 0  7          
 9007  25.25400  30.01700  28.81700   0.000    0 0  7          
 9008  20.94500  25.26200  30.02900   0.000    0 0  7          
 9009  21.40600  25.99600  31.12500   0.000    0 0  7          
 9010  21.18700  25.72600  28.73100   0.000    0 0  7          
 9011  22.10600  27.18700  30.92800   0.000    0 0  7          
 9012  24.78100  27.74400  28.18600   0.000    0 0  7          
 9013  21.88900  26.92300  28.53600   0.000    0 0  7          
 9014  24.33400  28.88300  28.84100   0.000    0 0  7          
 9015  22.35300  27.65900  29.63800   0.000    0 0  7          
 9016  23.02512  27.92287  30.39600   1.757  601 0  3          
 9017  26.28700  31.88000  28.97500   0.000    0 0  3          
 9018  23.13194  28.01745  29.55560   1.871  601 0  3          
 9019  25.16000  31.27100  29.33400   0.000    0 0  4          
 9020  23.07800  28.91100  29.46200   0.000    0 0  3