STDPC000938
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -0.6863   -1.3660   -0.0971 C   0  0  0  0  0  0
    0.0752   -0.1140    0.3451 C   0  0  0  0  0  0
   -0.4731    0.7164    1.0676 O   0  0  0  0  0  0
    1.5262    0.1089   -0.1118 C   0  0  0  0  0  0
    1.9736   -0.9539   -0.9335 O   0  0  0  0  0  0
   -0.1784   -2.2648    0.2530 H   0  0  0  0  0  0
   -0.7649   -1.4003   -1.1838 H   0  0  0  0  0  0
   -1.6958   -1.3658    0.3151 H   0  0  0  0  0  0
    1.5929    1.0441   -0.6684 H   0  0  0  0  0  0
    2.1748    0.1835    0.7613 H   0  0  0  0  0  0
    2.8808   -0.7782   -1.1945 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 10  1  0  0  0
  5 11  1  0  0  0
M  END
> <s_m_entry_id>
12827

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9327

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12827

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11DKD1PKVtDSDJdW09IXQ==

> <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_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
5.68462268559236

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000938-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
