STDPC007370
                    3D
 Structure written by MMmdl.
  7  6  0  0  1  0            999 V2000
   -0.0326    0.0153   -0.0000 C   0  0  0  0  0  0
    1.7747   -0.1035   -0.0000 S   0  0  0  0  0  0
    1.9450   -1.7966   -0.0000 C   0  0  0  0  0  0
    1.9975   -2.9523   -0.0000 N   0  0  0  0  0  0
   -0.3408    1.0607    0.0000 H   0  0  0  0  0  0
   -0.4458   -0.4680    0.8855 H   0  0  0  0  0  0
   -0.4458   -0.4680   -0.8855 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  3  4  3  0  0  0
M  END
> <s_m_entry_id>
4201

> <s_m_entry_name>
structure generation_with STDDB ID and smile.2961

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
4201

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11TQyNO

> <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>
-0.076008205913594

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC007370-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
