STDPC001245
                    3D
 Structure written by MMmdl.
  6  5  0  0  1  0            999 V2000
    0.0172   -0.0138    0.0000 C   0  0  0  0  0  0
   -0.6239    1.0399   -0.0000 O   0  0  0  0  0  0
    1.5154    0.0219    0.0000 C   0  0  0  0  0  0
    2.0636   -1.1027   -0.0000 O   0  0  0  0  0  0
    2.0619    1.1496    0.0000 O   0  5  0  0  0  0
   -0.4408   -1.0037    0.0000 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1  6  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
M  CHG  1   5  -1
M  END
> <s_m_entry_id>
12443

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9022

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12443

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
Tz1bQ0hdQyg9TylbT0hd

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0000

> <r_epik_Ionization_Penalty_Charging>
  0.0000

> <r_epik_Ionization_Penalty_Neutral>
  0.0000

> <r_epik_State_Penalty>
  0.0000

> <r_epik_Charging_Adjusted_Penalty>
1.0487550819065e-05

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
10.0430592334129

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001245-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
