STDPC008540
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -2.1159    1.2598   -0.0811 C   0  0  0  0  0  0
   -0.7545    0.8258    0.4195 C   0  0  0  0  0  0
   -0.0970   -0.2649   -0.0071 C   0  0  0  0  0  0
    1.4996   -0.7830    0.5733 S   0  0  0  0  0  0
    2.1676    0.2568    1.7444 O   0  0  0  0  0  0
   -2.0534    2.2540   -0.5237 H   0  0  0  0  0  0
   -2.8267    1.2917    0.7447 H   0  0  0  0  0  0
   -2.5032    0.5748   -0.8365 H   0  0  0  0  0  0
   -0.3063    1.4577    1.1726 H   0  0  0  0  0  0
   -0.5204   -0.9157   -0.7584 H   0  0  0  0  0  0
    2.6483    0.9318    1.2597 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  1  0  0  0
  5 11  1  0  0  0
M  END
> <s_m_entry_id>
2591

> <s_m_entry_name>
structure generation_with STDDB ID and smile.1804

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
2591

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM10vW0NIXT1bQ0hdL1NbT0hd

> <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>
-6.47074200726848

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC008540-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
