STDPC005243
                    3D
 Structure written by MMmdl.
  9  9  0  0  1  0            999 V2000
   -2.5131  -13.1063   -0.8392 C   0  0  0  0  0  0
   -1.4003  -12.7193   -1.5691 C   0  0  0  0  0  0
   -1.1482  -13.6195   -2.5542 O   0  0  0  0  0  0
   -2.0999  -14.5832   -2.4551 C   0  0  0  0  0  0
   -2.9613  -14.3004   -1.4068 C   0  0  0  0  0  0
   -2.9472  -12.5865    0.0022 H   0  0  0  0  0  0
   -0.7265  -11.8775   -1.5070 H   0  0  0  0  0  0
   -2.0435  -15.3865   -3.1749 H   0  0  0  0  0  0
   -3.8111  -14.8881   -1.0918 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>
7055

> <s_m_entry_name>
structure generation_with STDDB ID and smile.5045

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
7055

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W2NIXTFbY0hdb1tjSF1bY0hdMQ==

> <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>
2.59808440744207

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC005243-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
