
C:\Users\zhaoboya>set BABEL_DATADIR=C:\Program Files (x86)\MGLTools-1.5.7\OpenBabel-2.3.2\data

C:\Users\zhaoboya>set path=C:\Program Files (x86)\MGLTools-1.5.7\OpenBabel-2.3.2;C:\Program Files\PerkinElmerInformatics\ChemOffice2022\ChemScript\Lib;C:\Program Files\Parallels\Parallels Tools\Applications;C:\WINDOWS\system32;C:\WINDOWS;C:\WINDOWS\System32\Wbem;C:\WINDOWS\System32\WindowsPowerShell\v1.0\;C:\WINDOWS\System32\OpenSSH\;C:\Program Files (x86)\MGLTools-1.5.7;C:\OpenBabel-2.4.1;C:\Users\zhaoboya\AppData\Local\Microsoft\WindowsApps

C:\Users\zhaoboya>"C:\Program Files (x86)\MGLTools-1.5.7\python.exe" "C:\Program Files (x86)\MGLTools-1.5.7\Lib\site-packages\AutoDockTools\bin\runAdt.py"
Run ADT from  C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\AutoDockTools
MSMSLIB 1.4.4 started on Local PC
Copyright M.F. Sanner (March 2000)
Compilation flags
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -1729120696
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -6.2      0.000      0.000
   2         -5.6     21.644     23.192
   3         -5.5      1.814      3.182
   4         -5.5     13.306     15.539
   5         -5.5     14.656     19.111
   6         -5.4     19.458     21.779
   7         -5.4     13.939     16.818
   8         -5.4     15.120     19.552
   9         -5.2     13.500     15.826
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 1807267072
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -7.0      0.000      0.000
   2         -6.9     22.625     26.147
   3         -6.9     17.707     21.236
   4         -6.9      1.583      2.251
   5         -6.8     20.652     23.450
   6         -6.7     22.062     24.671
   7         -6.6      8.208     11.620
   8         -6.5     21.667     24.866
   9         -6.4     21.782     25.081
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 1123202988
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -7.2      0.000      0.000
   2         -6.7     23.037     25.789
   3         -6.6     22.365     25.331
   4         -6.6     23.096     25.704
   5         -6.6     24.003     26.896
   6         -6.5     21.072     24.969
   7         -6.3     22.425     25.165
   8         -6.1     23.374     25.981
   9         -6.0      2.236      6.241
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -684559120
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -4.8      0.000      0.000
   2         -4.7      1.926      3.177
   3         -4.5      0.993      2.166
   4         -4.3      4.090      6.372
   5         -4.3      2.359      5.707
   6         -4.3      2.013      3.986
   7         -4.2      2.587      6.282
   8         -4.2     15.031     17.109
   9         -4.2      2.121      4.277
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -1002744096
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -5.9      0.000      0.000
   2         -5.8      3.866      8.387
   3         -5.8     26.763     28.094
   4         -5.8     26.977     29.365
   5         -5.7     14.444     15.695
   6         -5.7      1.963      7.081
   7         -5.7     17.126     18.724
   8         -5.6      3.021      5.099
   9         -5.5     22.511     25.627
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 491808372
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -5.7      0.000      0.000
   2         -5.2     15.593     18.255
   3         -5.1      1.980      3.411
   4         -4.9      2.210      3.823
   5         -4.8      3.291      5.220
   6         -4.7      5.504     11.108
   7         -4.7      2.053      3.093
   8         -4.6      1.723      2.512
   9         -4.4     20.520     23.594
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -879682336
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -6.6      0.000      0.000
   2         -6.5      6.236     10.775
   3         -6.4      6.195     10.498
   4         -6.2      6.050     10.311
   5         -6.2     22.921     25.453
   6         -6.1      8.690     13.387
   7         -5.9      1.759      2.169
   8         -5.8      9.751     14.541
   9         -5.8      6.003     10.732
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 756741360
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -6.1      0.000      0.000
   2         -6.0      1.633      6.518
   3         -5.9     14.655     19.009
   4         -5.7      1.355      2.301
   5         -5.7     17.145     20.497
   6         -5.6      2.022      6.535
   7         -5.4      2.796      5.567
   8         -5.3     14.113     17.118
   9         -5.1      3.433      6.273
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -251381996
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -4.0      0.000      0.000
   2         -3.9      1.943      2.826
   3         -3.8      6.023      9.043
   4         -3.7      2.062      3.415
   5         -3.5      2.748      7.268
   6         -3.4      4.423     10.421
   7         -3.3     13.015     14.410
   8         -3.3      4.211      8.154
   9         -3.3     10.983     13.483
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 338546248
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -4.6      0.000      0.000
   2         -4.3     11.326     12.755
   3         -4.3      2.415      4.492
   4         -4.1      3.328      5.711
   5         -4.1      9.868     11.364
   6         -4.0      3.966      6.158
   7         -4.0     10.158     10.873
   8         -3.9      3.349      6.203
   9         -3.9      2.878      6.632
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -549261060
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -5.5      0.000      0.000
   2         -5.2      2.289      3.763
   3         -4.7      5.030      9.081
   4         -4.6      5.388     10.246
   5         -4.2     24.523     27.795
   6         -4.0     25.831     29.351
   7         -4.0     23.679     26.873
   8         -4.0     33.750     36.453
   9         -3.9     11.812     14.063
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, Journal of Computational Chemistry 31 (2010)  #
# 455-461                                                       #
#                                                               #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see http://vina.scripps.edu for more information.      #
#################################################################

WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 408588264
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -6.8      0.000      0.000
   2         -6.3     20.766     24.189
   3         -6.2      3.156      6.561
   4         -6.2      2.206      7.680
   5         -6.1      3.528      6.518
   6         -6.1     17.037     20.144
   7         -6.0      2.107      4.026
   8         -6.0     37.626     39.953
   9         -6.0     15.265     18.300
Writing output ... done.
