STDPC001016
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
    0.1636    0.0784    0.0000 C   0  0  0  0  0  0
   -0.5378    1.2418   -0.0000 C   0  0  0  0  0  0
   -0.1201    2.7378   -0.0000 C   0  0  0  0  0  0
   -1.0978    3.5180    0.0000 O   0  0  0  0  0  0
    1.0993    3.0045   -0.0000 O   0  5  0  0  0  0
    1.5954   -0.1478    0.0000 C   0  0  0  0  0  0
    2.4784    0.7047   -0.0000 O   0  0  0  0  0  0
    1.8723   -1.4840    0.0000 O   0  0  0  0  0  0
   -0.4192   -0.8329    0.0000 H   0  0  0  0  0  0
   -1.6077    1.0872   -0.0000 H   0  0  0  0  0  0
    2.8163   -1.6554    0.0000 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8 11  1  0  0  0
M  CHG  1   5  -1
M  END
> <s_m_entry_id>
12725

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9249

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12725

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
Tz1DKFtPSF0pL1tDSF09W0NIXVxDKD1PKVtPSF0=

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  1.6649

> <r_epik_Ionization_Penalty_Charging>
  0.0000

> <r_epik_Ionization_Penalty_Neutral>
  1.6649

> <r_epik_State_Penalty>
  1.5622

> <r_epik_Charging_Adjusted_Penalty>
1.56221420709006

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
13.2061762269377

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001016-2

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
