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    40
 9001  25.55356  26.58333  26.49123   2.377   86 0  0          
 9002  22.88866  25.83045  27.39134   1.944  630 0  0          
 9003  20.22961  23.54021  27.06048   1.400  656 0  0          
 9004  27.46236  29.74453  27.66999   2.052 1017 0  0          
 9005  20.72288  23.83426  30.39600   2.610  656 0  0          
 9006  17.75693  25.17729  30.42959   1.799  656 0  0          
 9007  21.13281  24.11482  28.88265   2.442   86 0  0          
 9008  26.46478  27.24400  26.60297   2.615 1018 0  0          
 9009  19.86029  27.28222  33.43663   1.634  597 0  0          
 9010  20.01336  24.60143  30.68788   2.549  609 0  0          
 9011  20.82211  23.77193  27.82844   1.937  656 0  0          
 9012  25.48943  28.62598  28.58831   2.262   86 0  0          
 9013  28.47900  31.45000  27.66000   0.000    0 0  0          
 9014  24.22335  27.03284  27.51828   1.781 1018 0  0          
 9015  25.30715  27.21493  27.23928   2.021   86 0  0          
 9016  19.93092  24.97640  27.91500   1.751  630 0  0          
 9017  22.61646  26.71874  27.94774   2.028 1018 0  0          
 9018  27.14300  31.04700  28.23000   0.000    0 0  0          
 9019  21.65949  26.72101  30.39600   1.989  608 0  0          
 9020  26.89300  28.68100  27.48800   0.000    0 0  0          
 9021  26.46900  29.81100  28.13000   0.000    0 0  0          
 9022  25.25400  30.01700  28.81700   0.000    0 0  0          
 9023  26.01500  27.69200  27.55400   0.000    0 0  0          
 9024  20.62100  24.83200  27.37700   0.000    0 0  0          
 9025  21.40600  25.99600  31.12500   0.000    0 0  0          
 9026  24.78100  27.74400  28.18600   0.000    0 0  0          
 9027  22.10600  27.18700  30.92800   0.000    0 0  0          
 9028  24.33400  28.88300  28.84100   0.000    0 0  0          
 9029  20.94500  25.26200  30.02900   0.000    0 0  0          
 9030  21.18700  25.72600  28.73100   0.000    0 0  0          
 9031  22.35300  27.65900  29.63800   0.000    0 0  0          
 9032  21.88900  26.92300  28.53600   0.000    0 0  0          
 9033  21.06254  26.68125  32.24207   1.869  597 0  0          
 9034  24.19369  30.96020  29.19225   1.400 1017 0  0          
 9035  23.91634  28.42981  30.07639   1.841   86 0  0          
 9036  24.52881  29.71071  29.17256   1.885 1017 0  0          
 9037  26.28700  31.88000  28.97500   0.000    0 0  0          
 9038  23.00908  27.90787  30.08501   1.781   86 0  0          
 9039  25.16000  31.27100  29.33400   0.000    0 0  0          
 9040  23.07800  28.91100  29.46200   0.000    0 0  0