STDPC004017
                    3D
 Structure written by MMmdl.
 11 11  0  0  1  0            999 V2000
   -0.2770    0.0398   -1.2055 C   0  0  0  0  0  0
   -0.5488    0.0769   -2.4069 O   0  0  0  0  0  0
    1.0103   -0.6916   -0.6555 C   0  0  0  0  0  0
    1.8153   -1.2653   -1.3878 O   0  0  0  0  0  0
    1.1474   -0.6301    0.6918 N   0  0  0  0  0  0
    0.3209   -0.0247    1.5946 C   0  0  0  0  0  0
    0.6995   -0.1315    2.7585 O   0  0  0  0  0  0
   -0.7776    0.6045    1.1723 N   0  5  0  0  0  0
   -1.1956    0.7250   -0.0877 C   0  0  0  0  0  0
   -2.2096    1.3065   -0.4716 O   0  0  0  0  0  0
    1.9598   -1.0875    1.0777 H   0  0  0  0  0  0
  1  9  1  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
M  CHG  1   8  -1
M  END
> <s_m_entry_id>
8829

> <s_m_entry_name>
structure generation_with STDDB ID and smile.6264

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
8829

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
Tz1DMUMoPU8pW05IXUMoPU8pW05IXUMxPU8=

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0139

> <r_epik_Ionization_Penalty_Charging>
  0.0014

> <r_epik_Ionization_Penalty_Neutral>
  0.0125

> <r_epik_State_Penalty>
  0.4160

> <r_epik_Charging_Adjusted_Penalty>
0.417352230794481

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
18.5247597645541

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC004017-1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
