STDPC004235
                    3D
 Structure written by MMmdl.
  8  8  0  0  1  0            999 V2000
  -11.6379   -3.7993   -5.0239 C   0  0  0  0  0  0
  -12.8179   -4.1780   -4.4244 C   0  0  0  0  0  0
  -13.4457   -5.0904   -5.2094 O   0  0  0  0  0  0
  -12.6612   -5.3127   -6.3440 N   0  0  0  0  0  0
  -11.6087   -4.5389   -6.2018 C   0  0  0  0  0  0
  -10.9050   -3.0925   -4.6641 H   0  0  0  0  0  0
  -13.3134   -3.9063   -3.5038 H   0  0  0  0  0  0
  -10.8263   -4.5110   -6.9459 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  8  1  0  0  0
M  END
> <s_m_entry_id>
8451

> <s_m_entry_name>
structure generation_with STDDB ID and smile.6048

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
8451

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W2NIXTFbY0hdb25bY0hdMQ==

> <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>
1.73124137566137

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC004235-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
