STDPC010224
                    3D
 Structure written by MMmdl.
  8  8  0  0  1  0            999 V2000
   -1.2277   -2.1415    0.0089 C   0  0  0  0  0  0
   -1.2818   -0.8010    0.0120 C   0  0  0  0  0  0
   -2.8651   -0.0296    0.0272 S   0  0  0  0  0  0
   -3.8434   -1.8012    0.0321 S   0  0  0  0  0  0
   -2.4426   -2.8736    0.0179 C   0  0  0  0  0  0
   -2.6219   -4.5220    0.0161 S   0  0  0  0  0  0
   -0.2908   -2.6807   -0.0003 H   0  0  0  0  0  0
   -0.4067   -0.1681    0.0057 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
M  END
> <s_m_entry_id>
244

> <s_m_entry_name>
structure generation_with STDDB ID and smile.123

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
244

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
Uz1jMVtjSF1bY0hdc3Mx

> <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>
0

> <i_epik_Tot_Q>
0

> <i_epik_Tot_abs_Q>
0

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
1.87909947947145

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC010224-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
