STDPC003548
                    3D
 Structure written by MMmdl.
 10  9  0  0  1  0            999 V2000
   -0.0205   -0.0002   -0.0242 C   0  0  0  0  0  0
    1.8325   -0.0505   -0.0461 S   0  0  0  0  0  0
    2.2411   -1.5214    0.0492 O   0  0  0  0  0  0
    2.1011    0.6963    1.6293 C   0  0  0  0  0  0
   -0.3743    1.0287    0.0408 H   0  0  0  0  0  0
   -0.4065   -0.5567    0.8299 H   0  0  0  0  0  0
   -0.4176   -0.4491   -0.9344 H   0  0  0  0  0  0
    1.7069    1.7119    1.6629 H   0  0  0  0  0  0
    3.1661    0.7273    1.8586 H   0  0  0  0  0  0
    1.6020    0.1027    2.3953 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  4  8  1  0  0  0
  4  9  1  0  0  0
  4 10  1  0  0  0
M  END
> <s_m_entry_id>
9443

> <s_m_entry_name>
structure generation_with STDDB ID and smile.6733

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
9443

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11TKD1PKVtDSDNd

> <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>
-3.18655152718855

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC003548-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
