STDPC003161
                    3D
 Structure written by MMmdl.
 11 11  0  0  1  0            999 V2000
   -1.2551   -0.8527   -0.1352 C   0  0  0  0  0  0
   -0.0192   -0.3067   -0.0821 C   0  0  0  0  0  0
    1.1205   -1.0357    0.0627 O   0  0  0  0  0  0
    1.0072   -2.3881    0.1592 C   0  0  0  0  0  0
   -0.1741   -3.0449    0.1190 C   0  0  0  0  0  0
   -1.4435   -2.3115   -0.0362 C   0  0  0  0  0  0
   -2.5431   -2.8587   -0.0786 O   0  0  0  0  0  0
   -2.1086   -0.2010   -0.2518 H   0  0  0  0  0  0
    0.1757    0.7536   -0.1496 H   0  0  0  0  0  0
    1.9651   -2.8748    0.2711 H   0  0  0  0  0  0
   -0.1751   -4.1218    0.2027 H   0  0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
M  END
> <s_m_entry_id>
9902

> <s_m_entry_name>
structure generation_with STDDB ID and smile.7117

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
9902

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
Tz1jMVtjSF1bY0hdb1tjSF1bY0hdMQ==

> <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>
8.39566701381526

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC003161-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
