STDPC001373
                    3D
 Structure written by MMmdl.
 10  9  0  0  1  0            999 V2000
   -0.0827    1.7396    0.0583 C   0  0  0  0  0  0
    0.0450    0.0196   -0.4927 S   0  0  0  0  0  0
    2.0150   -0.4364   -0.2294 S   0  0  0  0  0  0
    2.1426   -0.8193    1.5357 C   0  0  0  0  0  0
   -1.1081    2.0928   -0.0484 H   0  0  0  0  0  0
    0.5678    2.3791   -0.5384 H   0  0  0  0  0  0
    0.2060    1.8270    1.1058 H   0  0  0  0  0  0
    3.1681   -1.0884    1.7882 H   0  0  0  0  0  0
    1.4922   -1.6558    1.7912 H   0  0  0  0  0  0
    1.8540    0.0441    2.1351 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  1  0  0  0
  3  4  1  0  0  0
  4  8  1  0  0  0
  4  9  1  0  0  0
  4 10  1  0  0  0
M  END
> <s_m_entry_id>
12239

> <s_m_entry_name>
structure generation_with STDDB ID and smile.8896

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12239

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11TU1tDSDNd

> <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>
-7.08838662201011

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001373-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
