M134
  PyMOL2.3          3D                             0

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M  END
>  <s_m_entry_id>
594

>  <s_m_entry_name>
com.7

>  <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>
32

>  <chiral flag>
1

>  <version>
0

>  <s_i_glide_gridfile>
glide-grid_1

>  <i_i_glide_lignum>
7

>  <i_i_glide_rotatable_bonds>
5

>  <r_i_docking_score>
-11.548157

>  <r_i_glide_ligand_efficiency>
-0.281662

>  <r_i_glide_ligand_efficiency_sa>
-0.971233

>  <r_i_glide_ligand_efficiency_ln>
-2.449980

>  <r_i_glide_gscore>
-11.560857

>  <r_i_glide_lipo>
-5.208526

>  <r_i_glide_hbond>
-0.520000

>  <r_i_glide_metal>
0

>  <r_i_glide_rewards>
-0.551247

>  <r_i_glide_evdw>
-58.116501

>  <r_i_glide_ecoul>
-16.346266

>  <r_i_glide_erotb>
0.212970

>  <r_i_glide_esite>
-0.136289

>  <r_i_glide_emodel>
-145.239236

>  <r_i_glide_energy>
-74.462767

>  <r_i_glide_einternal>
3.217175

>  <i_i_glide_confnum>
233

>  <i_i_glide_posenum>
929

>  <r_i_glide_eff_state_penalty>
0.012700

>  <i_lp_mmshare_version>
41011

>  <i_f3d_flags>
0

>  <s_epik_input>
Q2xjMVtjSF1bY0hdW2NIXWMoYzEyKVtjSF1bY0hdW2NIXWMyLWMoYzNGKW5bY0hdYyhjMzQpYyhOKFtDSDJdW0NASF01NilbQ0gyXVtDQEhdKFtOSF02KVtDSDJdW0NIMl01KW5jKG40KU9bQ0gyXVtDQF03OE4oW0NIMl1bQ0gyXVtDSDJdNylbQ0gyXVtDQEhdKEYpW0NIMl04

>  <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLXRuJywgJzgnLCAnLW1hJywgJzIwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=

>  <r_epik_Ionization_Penalty>
0.018800

>  <r_epik_Ionization_Penalty_Charging>
0.018800

>  <r_epik_Ionization_Penalty_Neutral>
0.000100

>  <r_epik_State_Penalty>
0.012700

>  <r_epik_Charging_Adjusted_Penalty>
0.031496

>  <i_epik_Tot_Q>
2

>  <i_epik_Tot_abs_Q>
2

>  <s_lp_Force_Field>
OPLS3

>  <r_lp_Energy>
93.789018

>  <b_lp_Chiralities_Consistent>
1

>  <s_lp_Variant>
M134-1

>  <s_m_subgroupid>


>  <2_pv>


>  <s_m_subgroup_title>


>  <b_m_subgroup_collapsed>
0

> <exp_dG>
-11.50

$$$$
