STDPC008524
                    3D
 Structure written by MMmdl.
  9  9  0  0  1  0            999 V2000
   -1.2711    2.4578    0.5273 C   0  0  0  0  0  0
   -0.9150    2.8270    1.8177 C   0  0  0  0  0  0
    0.7602    2.5177    2.1481 S   0  0  0  0  0  0
    0.9775    1.8908    0.5448 C   0  0  0  0  0  0
   -0.1971    1.9265   -0.1951 C   0  0  0  0  0  0
   -2.2674    2.5686    0.1254 H   0  0  0  0  0  0
   -1.5488    3.2595    2.5776 H   0  0  0  0  0  0
    1.9451    1.5310    0.2275 H   0  0  0  0  0  0
   -0.2733    1.5820   -1.2159 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  9  1  0  0  0
M  END
> <s_m_entry_id>
2609

> <s_m_entry_name>
structure generation_with STDDB ID and smile.1820

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
2609

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W2NIXTFbY0hdc1tjSF1bY0hdMQ==

> <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>
2.31934381936711

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC008524-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
