STDPC006603
                    3D
 Structure written by MMmdl.
 12 11  0  0  1  0            999 V2000
   -0.7034    1.9478   -1.7194 C   0  0  0  0  0  0
    0.0084    2.1014   -0.0605 S   0  0  0  0  0  0
    0.1181    0.1787    0.6078 S   0  0  0  0  0  0
    1.9420   -0.6158    0.1493 S   0  0  0  0  0  0
    2.0519   -0.9984   -1.8500 S   0  0  0  0  0  0
    2.7634    0.5151   -2.5466 C   0  0  0  0  0  0
   -0.7120    2.9178   -2.2164 H   0  0  0  0  0  0
   -1.7291    1.5844   -1.6549 H   0  0  0  0  0  0
   -0.1310    1.2498   -2.3286 H   0  0  0  0  0  0
    2.7720    0.4605   -3.6351 H   0  0  0  0  0  0
    3.7890    0.6412   -2.1996 H   0  0  0  0  0  0
    2.1908    1.3916   -2.2468 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6 10  1  0  0  0
  6 11  1  0  0  0
  6 12  1  0  0  0
M  END
> <s_m_entry_id>
5222

> <s_m_entry_name>
structure generation_with STDDB ID and smile.3711

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
5222

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11TU1NTW0NIM10=

> <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>
-18.0463350996539

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC006603-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
