STDPC004858
                    3D
 Structure written by MMmdl.
 11 11  0  0  1  0            999 V2000
    4.1597    5.1134   -3.0927 C   0  0  0  0  0  0
    4.0256    4.5000   -1.7240 C   0  0  0  0  0  0
    4.9408    4.2515   -0.9421 O   0  0  0  0  0  0
    2.7114    4.2898   -1.5528 N   0  0  0  0  0  0
    1.9375    4.6657   -2.5925 C   0  0  0  0  0  0
    0.7154    4.5798   -2.6832 O   0  0  0  0  0  0
    2.7877    5.1525   -3.5039 N   0  0  0  0  0  0
    4.7460    4.4958   -3.7745 H   0  0  0  0  0  0
    4.5790    6.1200   -3.0629 H   0  0  0  0  0  0
    2.3305    3.8822   -0.7119 H   0  0  0  0  0  0
    2.5017    5.5163   -4.4015 H   0  0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7 11  1  0  0  0
M  END
> <s_m_entry_id>
7684

> <s_m_entry_name>
structure generation_with STDDB ID and smile.5430

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
7684

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
Tz1DMVtDSDJdW05IXUMoPU8pW05IXTE=

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0059

> <r_epik_Ionization_Penalty_Charging>
  0.0000

> <r_epik_Ionization_Penalty_Neutral>
  0.0059

> <r_epik_State_Penalty>
  0.0043

> <r_epik_Charging_Adjusted_Penalty>
0.00433438749101317

> <i_epik_Tot_Q>
0

> <i_epik_Tot_abs_Q>
0

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
-8.76095792536782

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC004858-1

> <r_lp_tautomer_probability>
0.999999999781369

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
