STDPC008542
                    3D
 Structure written by MMmdl.
 10 10  0  0  1  0            999 V2000
   -0.0086    0.0002   -0.0000 C   0  0  0  0  0  0
    1.5003    0.0055    0.0000 C   0  0  0  0  0  0
    2.4091    1.0577   -0.0000 C   0  0  0  0  0  0
    3.6824    0.7336    0.0000 N   0  0  0  0  0  0
    3.9350   -0.6212    0.0000 N   0  0  0  0  0  0
    2.4506   -1.4590    0.0000 S   0  0  0  0  0  0
   -0.4191    1.0102   -0.0000 H   0  0  0  0  0  0
   -0.4080   -0.5087    0.8774 H   0  0  0  0  0  0
   -0.4080   -0.5087   -0.8774 H   0  0  0  0  0  0
    2.1390    2.1032   -0.0000 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
M  END
> <s_m_entry_id>
2589

> <s_m_entry_name>
structure generation_with STDDB ID and smile.1802

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
2589

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11jMVtjSF1ubnMx

> <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>
1.41834907097709

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC008542-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
