STDPC010125
                    3D
 Structure written by MMmdl.
 10 10  0  0  1  0            999 V2000
    1.4400   -0.3640   -0.0286 C   0  0  0  0  0  0
    2.1397    0.7591   -0.2256 C   0  0  0  0  0  0
    3.4025    0.8116   -0.4573 O   0  5  0  0  0  0
    1.2683    1.9003   -0.1396 C   0  0  0  0  0  0
    0.0272    1.4614    0.1125 C   0  0  0  0  0  0
    0.0615    0.0146    0.1970 C   0  0  0  0  0  0
   -0.8864   -0.7370    0.4156 O   0  0  0  0  0  0
    1.7849   -1.3876   -0.0268 H   0  0  0  0  0  0
    1.5630    2.9326   -0.2576 H   0  0  0  0  0  0
   -0.8760    2.0393    0.2396 H   0  0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  7  2  0  0  0
M  CHG  1   3  -1
M  END
> <s_m_entry_id>
364

> <s_m_entry_name>
structure generation_with STDDB ID and smile.222

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
364

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
Tz1DMVtDSDJdQyg9TylbQ0hdPVtDSF0x

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0003

> <r_epik_Ionization_Penalty_Charging>
  0.0003

> <r_epik_Ionization_Penalty_Neutral>
  0.0000

> <r_epik_State_Penalty>
  1.8869

> <r_epik_Charging_Adjusted_Penalty>
1.88719908534707

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
-3.39225687699933

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC010125-2

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
