STDPC001407
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -0.0448   -0.0197    0.0000 C   0  0  0  0  0  0
    1.4810    0.1094   -0.0000 C   0  0  0  0  0  0
    2.0610   -1.1883   -0.0000 O   0  0  0  0  0  0
    3.4000   -1.3405    0.0000 C   0  0  0  0  0  0
    4.2382   -0.4376    0.0000 O   0  0  0  0  0  0
   -0.5176    0.9624    0.0000 H   0  0  0  0  0  0
   -0.3931   -0.5577    0.8821 H   0  0  0  0  0  0
   -0.3931   -0.5577   -0.8821 H   0  0  0  0  0  0
    1.8072    0.6654   -0.8805 H   0  0  0  0  0  0
    1.8072    0.6654    0.8805 H   0  0  0  0  0  0
    3.6383   -2.4041   -0.0000 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
M  END
> <s_m_entry_id>
12205

> <s_m_entry_name>
structure generation_with STDDB ID and smile.8862

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12205

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0gyXU9bQ0hdPU8=

> <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_epik_Chemistry_Notes>
This compound has an ester and may undergo hydrolysis at high or low pH.

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
0.79519015326911

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001407-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
