STDPC008531
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -0.0088    0.1086    0.0702 C   0  0  0  0  0  0
    1.5159    0.0451   -0.1290 C   0  0  0  0  0  0
    2.0862   -1.3327    0.1266 C   0  0  0  0  0  0
    2.4581   -1.8905    1.6446 S   0  0  0  0  0  0
    1.2284   -2.4096    2.3565 O   0  0  0  0  0  0
   -0.3841    1.1058   -0.1612 H   0  0  0  0  0  0
   -0.2916   -0.1124    1.1005 H   0  0  0  0  0  0
   -0.5307   -0.5948   -0.5804 H   0  0  0  0  0  0
    1.7549    0.3138   -1.1584 H   0  0  0  0  0  0
    2.0191    0.7785    0.5041 H   0  0  0  0  0  0
    2.2734   -2.0264   -0.6957 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  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  3  4  2  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
M  END
> <s_m_entry_id>
2602

> <s_m_entry_name>
structure generation_with STDDB ID and smile.1813

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
2602

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0gyXVtDSF09Uz1P

> <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>
1.27076428865498

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC008531-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
