STDPC001402
                    3D
 Structure written by MMmdl.
 12 11  0  0  1  0            999 V2000
   -0.0749    0.0722   -0.0000 C   0  0  0  0  0  0
    1.3312   -0.1321   -0.0000 O   0  0  0  0  0  0
    1.8483   -1.3805    0.0000 C   0  0  0  0  0  0
    1.1782   -2.4177    0.0000 O   0  0  0  0  0  0
    3.3066   -1.3595    0.0000 C   0  0  0  0  0  0
    4.0527   -2.4794    0.0000 C   0  0  0  0  0  0
   -0.2946    1.1398   -0.0000 H   0  0  0  0  0  0
   -0.5346   -0.3688    0.8856 H   0  0  0  0  0  0
   -0.5346   -0.3688   -0.8856 H   0  0  0  0  0  0
    3.7870   -0.3910   -0.0000 H   0  0  0  0  0  0
    3.6135   -3.4675    0.0000 H   0  0  0  0  0  0
    5.1310   -2.4190    0.0000 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  6 12  1  0  0  0
M  END
> <s_m_entry_id>
12210

> <s_m_entry_name>
structure generation_with STDDB ID and smile.8867

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12210

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11PQyg9TylbQ0hdPVtDSDJd

> <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>
2.65340544809286

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001402-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
