STDPC004695
                    3D
 Structure written by MMmdl.
 12 12  0  0  1  0            999 V2000
   -0.0115    0.0094   -0.0000 C   0  0  0  0  0  0
    1.4983    0.0075   -0.0000 C   0  0  0  0  0  0
    2.3548    1.1037   -0.0000 C   0  0  0  0  0  0
    3.6571    0.7218   -0.0000 O   0  0  0  0  0  0
    3.6574   -0.6318   -0.0000 C   0  0  0  0  0  0
    2.3554   -1.1005    0.0000 C   0  0  0  0  0  0
   -0.4348    1.0143    0.0000 H   0  0  0  0  0  0
   -0.4058   -0.5213    0.8668 H   0  0  0  0  0  0
   -0.4058   -0.5213   -0.8668 H   0  0  0  0  0  0
    2.1818    2.1698   -0.0000 H   0  0  0  0  0  0
    4.6241   -1.1135   -0.0000 H   0  0  0  0  0  0
    2.0540   -2.1376    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  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6 12  1  0  0  0
M  END
> <s_m_entry_id>
7875

> <s_m_entry_name>
structure generation_with STDDB ID and smile.5591

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
7875

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11jMVtjSF1vW2NIXVtjSF0x

> <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>
-1.21103450333582

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC004695-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
