STDPC000817
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -0.0826    0.0351   -0.0000 C   0  0  0  0  0  0
    1.8019    0.0276   -0.0000 S   0  0  0  0  0  0
    2.2578    0.6028   -1.2694 O   0  0  0  0  0  0
    2.2578    0.6029    1.2695 O   0  0  0  0  0  0
    2.2395   -1.8054   -0.0000 C   0  0  0  0  0  0
   -0.4303    1.0678    0.0000 H   0  0  0  0  0  0
   -0.4389   -0.4782    0.8926 H   0  0  0  0  0  0
   -0.4389   -0.4782   -0.8926 H   0  0  0  0  0  0
    3.3243   -1.9081    0.0000 H   0  0  0  0  0  0
    1.8211   -2.2694   -0.8926 H   0  0  0  0  0  0
    1.8211   -2.2694    0.8926 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  4  2  0  0  0
  2  5  1  0  0  0
  5  9  1  0  0  0
  5 10  1  0  0  0
  5 11  1  0  0  0
M  END
> <s_m_entry_id>
12981

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9448

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12981

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11TKD1PKSg9TylbQ0gzXQ==

> <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>
-11.4787128015907

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000817-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
