M6
  PyMOL2.3          3D                             0

 70 76  0  0  1  0  0  0  0  0999 V2000
   33.2725   14.3674   35.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3831   15.4417   34.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
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   34.3091   12.8749   32.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9649   13.1537   31.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.3518   12.3025   30.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8499   12.6078   29.2410 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2371   11.8284   28.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1382   10.7278   28.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5400   10.0657   27.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1045   10.3804   25.9254 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1969   11.3809   25.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
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   34.9393   13.5034   21.5031 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.8675   12.3226   21.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0147   11.5475   22.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
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   31.5750   10.3963   24.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3516    9.9584   24.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9449   10.3082   22.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7502   11.1050   22.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7342   12.1235   26.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8181   13.1041   26.7103 F   0  0  0  0  0  0  0  0  0  0  0  0
   35.5507   10.4507   29.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2951    9.3388   30.1284 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.4842    8.0791   29.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5958    6.8117   30.2714 C   0  0  2  0  0  0  0  0  0  0  0  0
   35.4527    6.6720   31.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8846    7.5250   32.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2702    8.0935   32.1249 C   0  0  2  0  0  0  0  0  0  0  0  0
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   37.8071    7.0040   31.1949 N   0  3  0  0  0  0  0  0  0  0  0  0
   35.1574   11.2489   30.7255 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.3231   16.2306   32.7472 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.5975   17.3672   32.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
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   32.7415   13.5050   35.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7535   14.7197   36.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
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   35.4423   13.6985   34.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.9856   14.2882   32.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.3783   12.7053   33.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.8926   11.9674   32.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.2764    9.2811   27.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.4754   12.7657   23.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.7509   13.6200   20.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
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   29.7116    9.3427   24.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
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   35.6205    7.9138   28.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.3611    8.1592   28.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.7477    5.9072   29.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.4927    6.9961   30.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <s_m_entry_id>
957

>  <s_m_entry_name>
com.2

>  <s_m_Source_Path>
C:\Users\86173\Desktop\fep_new\glide-dock_SP_2_001

>  <s_m_Source_File>


>  <2_pv.maegz>


>  <i_m_Source_File_Index>
395

>  <chiral flag>
1

>  <version>
0

>  <s_i_glide_gridfile>
glide-grid_1

>  <i_i_glide_lignum>
2

>  <i_i_glide_rotatable_bonds>
7

>  <r_i_docking_score>
-9.622953

>  <r_i_glide_ligand_efficiency>
-0.240574

>  <r_i_glide_ligand_efficiency_sa>
-0.822751

>  <r_i_glide_ligand_efficiency_ln>
-2.052293

>  <r_i_glide_gscore>
-9.794853

>  <r_i_glide_lipo>
-4.785582

>  <r_i_glide_hbond>
-0.426049

>  <r_i_glide_metal>
0

>  <r_i_glide_rewards>
-0.623196

>  <r_i_glide_evdw>
-58.631512

>  <r_i_glide_ecoul>
-9.461559

>  <r_i_glide_erotb>
0.428844

>  <r_i_glide_esite>
-0.038061

>  <r_i_glide_emodel>
-115.127352

>  <r_i_glide_energy>
-68.093071

>  <r_i_glide_einternal>
5.698279

>  <i_i_glide_confnum>
68

>  <i_i_glide_posenum>
1001

>  <r_i_glide_eff_state_penalty>
0.171900

>  <i_lp_mmshare_version>
41011

>  <i_f3d_flags>
0

>  <s_epik_input>
W2NIXTFbY0hdW2NIXW5jKGMxW0NIM10pW0NIMl1bQ0gyXU9jKG4yKW5jKE4oW0NIMl1bQ0BIXTM0KVtDSDJdW0NASF0oW05IXTQpW0NIMl1bQ0gyXTMpYyhjMjUpW2NIXW5jKGM1RiktYyhbY0hdYyhbT0hdKVtjSF02KWMoYzY3KVtjSF1bY0hdW2NIXVtjSF03

>  <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLXRuJywgJzgnLCAnLW1hJywgJzIwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=

>  <r_epik_Ionization_Penalty>
0.067600

>  <r_epik_Ionization_Penalty_Charging>
0.014100

>  <r_epik_Ionization_Penalty_Neutral>
0.053500

>  <r_epik_State_Penalty>
0.171900

>  <r_epik_Charging_Adjusted_Penalty>
0.185996

>  <i_epik_Tot_Q>
1

>  <i_epik_Tot_abs_Q>
1

>  <s_lp_Force_Field>
OPLS3

>  <r_lp_Energy>
78.370238

>  <b_lp_Chiralities_Consistent>
1

>  <s_lp_Variant>
M6-1

>  <r_lp_tautomer_probability>
1

>  <s_m_subgroupid>


>  <2_pv>


>  <s_m_subgroup_title>


>  <b_m_subgroup_collapsed>
0

> <exp_dG>
-8.68
$$$$