STDPC006349
                    3D
 Structure written by MMmdl.
 11 11  0  0  1  0            999 V2000
   -0.7211    0.2159   -1.2739 C   0  0  0  0  0  0
   -0.0345    0.0893    0.0650 C   0  0  2  0  0  0
   -0.7952    1.7581   -0.2323 S   0  0  0  0  0  0
    1.4963    0.0014    0.0855 C   0  0  0  0  0  0
    1.9882   -1.3643   -0.1502 C   0  0  0  0  0  0
    2.3751   -2.4387   -0.3353 N   0  0  0  0  0  0
   -1.6788   -0.2797   -1.4342 H   0  0  0  0  0  0
   -0.1258    0.3018   -2.1833 H   0  0  0  0  0  0
   -0.5191   -0.4990    0.8450 H   0  0  0  0  0  0
    1.9348    0.6477   -0.6755 H   0  0  0  0  0  0
    1.8802    0.3356    1.0495 H   0  0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  9  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  4 11  1  0  0  0
  5  6  3  0  0  0
M  END
> <s_m_entry_id>
5586

> <s_m_entry_name>
structure generation_with STDDB ID and smile.3965

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
5586

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
UzFbQ0gyXVtDQEhdMVtDSDJdQyNO

> <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>
0.0675730327250396

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC006349-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
