M60
  PyMOL2.3          3D                             0

 74 81  0  0  1  0  0  0  0  0999 V2000
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   32.1644   16.1600   33.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <s_m_entry_id>
866

>  <s_m_entry_name>
com.4

>  <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>
304

>  <chiral flag>
1

>  <version>
0

>  <s_i_glide_gridfile>
glide-grid_1

>  <i_i_glide_lignum>
4

>  <i_i_glide_rotatable_bonds>
5

>  <r_i_docking_score>
-9.950394

>  <r_i_glide_ligand_efficiency>
-0.242693

>  <r_i_glide_ligand_efficiency_sa>
-0.836857

>  <r_i_glide_ligand_efficiency_ln>
-2.111009

>  <r_i_glide_gscore>
-9.981594

>  <r_i_glide_lipo>
-5.129840

>  <r_i_glide_hbond>
-0.374228

>  <r_i_glide_metal>
0

>  <r_i_glide_rewards>
-0.537652

>  <r_i_glide_evdw>
-58.846661

>  <r_i_glide_ecoul>
-7.698180

>  <r_i_glide_erotb>
0.218801

>  <r_i_glide_esite>
-0.061616

>  <r_i_glide_emodel>
-113.907531

>  <r_i_glide_energy>
-66.544840

>  <r_i_glide_einternal>
3.260465

>  <i_i_glide_confnum>
53

>  <i_i_glide_posenum>
96

>  <r_i_glide_eff_state_penalty>
0.031200

>  <i_lp_mmshare_version>
41011

>  <i_f3d_flags>
0

>  <s_epik_input>
W0NIMl0xW0NIMl1bQ0gyXUMoW04rXTEyW08tXSkoW0NIMl1bQ0gyXVtDSDJdMilbQ0gyXU9jKG4zKW5jKE4oW0NIMl1bQ0BIXTQ1KVtDSDJdW0NASF0oW05IXTUpW0NIMl1bQ0gyXTQpYyhjMzYpW2NIXW5jKGM2RiktYyhbY0hdW2NIXVtjSF03KWMoYzc4KWMoQ2wpW2NIXVtjSF1bY0hdOA==

>  <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLXRuJywgJzgnLCAnLW1hJywgJzIwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=

>  <r_epik_Ionization_Penalty>
0.030900

>  <r_epik_Ionization_Penalty_Charging>
0.030900

>  <r_epik_Ionization_Penalty_Neutral>
0.000100

>  <r_epik_State_Penalty>
0.031200

>  <r_epik_Charging_Adjusted_Penalty>
0.062023

>  <i_epik_Tot_Q>
1

>  <i_epik_Tot_abs_Q>
3

>  <s_lp_Force_Field>
OPLS3

>  <r_lp_Energy>
104.652495

>  <b_lp_Chiralities_Consistent>
1

>  <s_lp_Variant>
M60-1

>  <r_lp_tautomer_probability>
1

>  <s_m_subgroupid>


>  <2_pv>


>  <s_m_subgroup_title>


>  <b_m_subgroup_collapsed>
0

> <exp_dG>
-7.88
$$$$