STDPC001416
                    3D
 Structure written by MMmdl.
 14 13  0  0  1  0            999 V2000
   -0.6353    1.4274    0.0000 C   0  0  0  0  0  0
    0.0199    0.0405   -0.0000 C   0  0  0  0  0  0
    1.5526    0.1114    0.0000 C   0  0  0  0  0  0
    2.0827   -1.2076   -0.0000 O   0  0  0  0  0  0
    3.4150   -1.4107    0.0000 C   0  0  0  0  0  0
    4.2869   -0.5404    0.0000 O   0  0  0  0  0  0
   -1.7226    1.3442   -0.0000 H   0  0  0  0  0  0
   -0.3476    2.0011   -0.8818 H   0  0  0  0  0  0
   -0.3476    2.0011    0.8817 H   0  0  0  0  0  0
   -0.3187   -0.5174    0.8740 H   0  0  0  0  0  0
   -0.3187   -0.5174   -0.8739 H   0  0  0  0  0  0
    1.9025    0.6520   -0.8813 H   0  0  0  0  0  0
    1.9025    0.6520    0.8813 H   0  0  0  0  0  0
    3.6126   -2.4826   -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
  2 10  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
M  END
> <s_m_entry_id>
12196

> <s_m_entry_name>
structure generation_with STDDB ID and smile.8853

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12196

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0gyXVtDSDJdT1tDSF09Tw==

> <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>
1.38229489155821

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001416-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
