STDPC000989
                    3D
 Structure written by MMmdl.
 14 13  0  0  1  0            999 V2000
   -0.5039    1.4750   -0.0000 C   0  0  0  0  0  0
   -0.1348   -0.0117    0.0000 C   0  0  0  0  0  0
    1.2803   -0.1481    0.0000 O   0  0  0  0  0  0
    1.8516   -1.3700    0.0000 C   0  0  0  0  0  0
    1.2615   -2.4514    0.0000 O   0  0  0  0  0  0
    3.3746   -1.3058   -0.0000 C   0  0  0  0  0  0
   -1.5863    1.6045   -0.0000 H   0  0  0  0  0  0
   -0.1081    1.9797   -0.8819 H   0  0  0  0  0  0
   -0.1081    1.9797    0.8819 H   0  0  0  0  0  0
   -0.5572   -0.4994    0.8801 H   0  0  0  0  0  0
   -0.5572   -0.4994   -0.8801 H   0  0  0  0  0  0
    3.7301   -0.2748   -0.0000 H   0  0  0  0  0  0
    3.7704   -1.8051   -0.8843 H   0  0  0  0  0  0
    3.7704   -1.8051    0.8844 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
  4  5  2  0  0  0
  4  6  1  0  0  0
  6 12  1  0  0  0
  6 13  1  0  0  0
  6 14  1  0  0  0
M  END
> <s_m_entry_id>
12757

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9276

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12757

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0gyXU9DKD1PKVtDSDNd

> <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>
-0.136798276366432

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000989-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
