STDPC009344
                    3D
 Structure written by MMmdl.
 12 11  0  0  1  0            999 V2000
   -0.0361    0.0100   -0.0000 C   0  0  0  0  0  0
    1.4770   -0.0132    0.0000 C   0  0  0  0  0  0
    2.2151   -1.1350    0.0000 C   0  0  0  0  0  0
    3.7282   -1.1581    0.0000 C   0  0  0  0  0  0
   -0.3984    1.0382   -0.0000 H   0  0  0  0  0  0
   -0.4282   -0.4886    0.8870 H   0  0  0  0  0  0
   -0.4282   -0.4886   -0.8870 H   0  0  0  0  0  0
    1.9707    0.9483    0.0000 H   0  0  0  0  0  0
    1.7214   -2.0965    0.0000 H   0  0  0  0  0  0
    4.0905   -2.1863    0.0000 H   0  0  0  0  0  0
    4.1203   -0.6595    0.8870 H   0  0  0  0  0  0
    4.1203   -0.6595   -0.8870 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  2  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4 10  1  0  0  0
  4 11  1  0  0  0
  4 12  1  0  0  0
M  END
> <s_m_entry_id>
1481

> <s_m_entry_name>
structure generation_with STDDB ID and smile.1000

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
1481

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM10vW0NIXT1bQ0hdL1tDSDNd

> <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>
0.443897106073971

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC009344-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
