STDPC001246
                    3D
 Structure written by MMmdl.
  3  2  0  0  1  0            999 V2000
    0.1908    0.7353   -0.1568 C   0  0  0  0  0  0
   -0.0338   -0.1711    0.5263 N   0  0  0  0  0  0
    0.3691    1.5713   -0.7920 H   0  0  0  0  0  0
  1  2  3  0  0  0
  1  3  1  0  0  0
M  END
> <s_m_entry_id>
12442

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9021

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12442

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIXSNO

> <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>
1.0643885511452e-10

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001246-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
