STDPC003633
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -0.0049    0.0088   -0.0000 C   0  0  0  0  0  0
    1.5078   -0.0300    0.0000 C   0  0  0  0  0  0
    2.2273   -1.1661    0.0000 C   0  0  0  0  0  0
    3.6760   -1.1426    0.0000 C   0  0  0  0  0  0
    4.3481   -2.1720    0.0000 O   0  0  0  0  0  0
   -0.3560    1.0410   -0.0000 H   0  0  0  0  0  0
   -0.4025   -0.4862    0.8865 H   0  0  0  0  0  0
   -0.4025   -0.4862   -0.8865 H   0  0  0  0  0  0
    2.0003    0.9333    0.0000 H   0  0  0  0  0  0
    1.7489   -2.1354    0.0000 H   0  0  0  0  0  0
    4.1539   -0.1621    0.0000 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  9  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
M  END
> <s_m_entry_id>
9339

> <s_m_entry_name>
structure generation_with STDDB ID and smile.6648

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
9339

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM10vW0NIXT1bQ0hdL1tDSF09Tw==

> <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>
-0.373836506227474

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC003633-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
