STDPC000804
                    3D
 Structure written by MMmdl.
 10  9  0  0  1  0            999 V2000
    0.0221    0.0088   -0.0255 C   0  0  0  0  0  0
    1.5537   -0.0187    0.0038 C   0  0  0  0  0  0
    2.1065   -0.0255    1.1262 O   0  0  0  0  0  0
    2.1492   -0.0438   -1.0962 O   0  5  0  0  0  0
   -0.5475    1.4297    0.0203 C   0  0  0  0  0  0
   -0.9179    2.0396   -0.9813 O   0  0  0  0  0  0
   -0.5927    1.9228    1.2926 O   0  0  0  0  0  0
   -0.3304   -0.4870   -0.9314 H   0  0  0  0  0  0
   -0.3725   -0.5741    0.8082 H   0  0  0  0  0  0
   -0.9402    2.8164    1.3231 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7 10  1  0  0  0
M  CHG  1   4  -1
M  END
> <s_m_entry_id>
13002

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9461

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
13002

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
Tz1DKFtPSF0pW0NIMl1DKD1PKVtPSF0=

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  1.9989

> <r_epik_Ionization_Penalty_Charging>
  0.0001

> <r_epik_Ionization_Penalty_Neutral>
  1.9988

> <r_epik_State_Penalty>
  2.1274

> <r_epik_Charging_Adjusted_Penalty>
2.12750456511887

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
-4.26429752613984

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000804-2

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
