STDPC000999
                    3D
 Structure written by MMmdl.
  8  7  0  0  1  0            999 V2000
   -0.0014    0.0100    0.0008 C   0  0  0  0  0  0
    1.5305    0.0078   -0.0132 C   0  0  0  0  0  0
    2.1153   -0.0059    1.0931 O   0  0  0  0  0  0
    2.0952   -0.0032   -1.1300 O   0  5  0  0  0  0
   -0.4658    1.3459    0.0012 O   0  0  0  0  0  0
   -0.3935   -0.5108   -0.8738 H   0  0  0  0  0  0
   -0.3778   -0.5075    0.8843 H   0  0  0  0  0  0
   -1.4254    1.3345    0.0030 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  5  8  1  0  0  0
M  CHG  1   4  -1
M  END
> <s_m_entry_id>
12746

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9266

> <s_m_Source_Path>
/home/mayank/ket/ligprep_1

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12746

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W09IXVtDSDJdQyg9TylbT0hd

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0005

> <r_epik_Ionization_Penalty_Charging>
  0.0005

> <r_epik_Ionization_Penalty_Neutral>
  0.0000

> <r_epik_State_Penalty>
  0.0003

> <r_epik_Charging_Adjusted_Penalty>
0.000822112582240005

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
13.0424474341481

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000999-1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
