STDPC001387
                    3D
 Structure written by MMmdl.
 12 12  0  0  1  0            999 V2000
    2.3030   -4.3215   -3.3988 C   0  0  0  0  0  0
    0.8450   -3.9532   -3.5789 C   0  0  0  0  0  0
    0.2548   -5.3093   -3.9392 C   0  0  0  0  0  0
   -0.9205   -5.6627   -3.8792 O   0  0  0  0  0  0
    1.2316   -6.1395   -4.3611 O   0  0  0  0  0  0
    2.5050   -5.5068   -4.3342 C   0  0  0  0  0  0
    2.5027   -4.6064   -2.3637 H   0  0  0  0  0  0
    2.9694   -3.4950   -3.6472 H   0  0  0  0  0  0
    0.3974   -3.5299   -2.6794 H   0  0  0  0  0  0
    0.7099   -3.2622   -4.4114 H   0  0  0  0  0  0
    2.7799   -5.1827   -5.3391 H   0  0  0  0  0  0
    3.2732   -6.1795   -3.9518 H   0  0  0  0  0  0
  1  6  1  0  0  0
  1  2  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  2  0  0  0
  3  5  1  0  0  0
  5  6  1  0  0  0
  6 11  1  0  0  0
  6 12  1  0  0  0
M  END
> <s_m_entry_id>
12225

> <s_m_entry_name>
structure generation_with STDDB ID and smile.8882

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12225

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
TzFbQ0gyXVtDSDJdW0NIMl1DMT1P

> <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>
-1.17677583563065

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001387-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
