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  31.18596  34.61061  14.08340   1.836  565 0  7          
 9002  35.18100  35.69700  19.28100   0.000    0 0  7          
 9003  35.90100  35.88000  18.14300   0.000    0 0  7          
 9004  34.07000  34.87300  19.27700   0.000    0 0  7          
 9005  35.49700  35.25700  16.99400   0.000    0 0  7          
 9006  29.64800  34.18400  12.51400   0.000    0 0  7          
 9007  29.84300  32.94300  12.09600   0.000    0 0  7          
 9008  33.68000  34.24500  18.08700   0.000    0 0  7          
 9009  30.62300  34.54300  13.37200   0.000    0 0  7          
 9010  34.40300  34.44900  16.99300   0.000    0 0  7          
 9011  31.58900  31.33500  12.55500   0.000    0 0  7          
 9012  31.00200  32.52200  12.73100   0.000    0 0  7          
 9013  31.44900  33.49700  13.48600   0.000    0 0  7          
 9014  34.07700  33.89200  15.84000   0.000    0 0  0          
 9015  32.60300  33.46800  14.15600   0.000    0 0  7          
 9016  33.55176  32.64835  18.01895   1.447  530 0  3          
 9017  32.85000  33.99900  15.35200   0.000    0 0  7          
 9018  31.80354  30.98151  14.05423   1.678 1253 0  3          
 9019  32.49118  34.30885  16.92471   1.564 1246 0  4          
 9020  31.96300  34.53700  16.03100   0.000    0 0  4