STDPC002502
                    3D
 Structure written by MMmdl.
 13 12  0  0  1  0            999 V2000
   -0.8207   -1.3130    0.2729 C   0  0  0  0  0  0
   -0.0334   -0.2607   -0.5071 C   0  0  0  0  0  0
   -0.5990    0.5358   -1.2575 O   0  0  0  0  0  0
    1.5114   -0.2722   -0.2842 C   0  0  0  0  0  0
    2.0721   -1.0929    0.4467 O   0  0  0  0  0  0
    2.1063    0.7182   -0.9879 O   0  0  0  0  0  0
    3.5144    0.8922   -0.9344 C   0  0  0  0  0  0
   -0.4759   -2.3154    0.0177 H   0  0  0  0  0  0
   -1.8842   -1.2477    0.0417 H   0  0  0  0  0  0
   -0.6936   -1.1661    1.3458 H   0  0  0  0  0  0
    3.8048    1.7465   -1.5458 H   0  0  0  0  0  0
    4.0320    0.0104   -1.3150 H   0  0  0  0  0  0
    3.8489    1.0772    0.0875 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  1  0  0  0
  7 11  1  0  0  0
  7 12  1  0  0  0
  7 13  1  0  0  0
M  END
> <s_m_entry_id>
10766

> <s_m_entry_name>
structure generation_with STDDB ID and smile.7769

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
10766

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11DKD1PKUMoPU8pT1tDSDNd

> <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>
7.17052146639075

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC002502-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
