STDPC005131
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
    0.1077    1.7797   -0.1541 C   0  0  0  0  0  0
   -0.0574    0.0189    0.2341 S   0  0  0  0  0  0
    1.8456   -0.7157    0.1566 S   0  0  0  0  0  0
    2.3486   -1.1414   -1.7755 S   0  0  0  0  0  0
    2.8865    0.4396   -2.4751 C   0  0  0  0  0  0
   -0.8473    2.2842   -0.0082 H   0  0  0  0  0  0
    0.4107    1.9194   -1.1901 H   0  0  0  0  0  0
    0.8482    2.2461    0.4958 H   0  0  0  0  0  0
    3.2993    0.2845   -3.4718 H   0  0  0  0  0  0
    3.6552    0.8925   -1.8488 H   0  0  0  0  0  0
    2.0487    1.1295   -2.5583 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  9  1  0  0  0
  5 10  1  0  0  0
  5 11  1  0  0  0
M  END
> <s_m_entry_id>
7192

> <s_m_entry_name>
structure generation_with STDDB ID and smile.5157

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
7192

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11TU1NbQ0gzXQ==

> <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>
-13.4407814934699

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC005131-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
