STDPC008084
                    3D
 Structure written by MMmdl.
 12 12  0  0  1  0            999 V2000
   -0.0165    0.0002   -0.0000 C   0  0  0  0  0  0
    1.4930    0.0055    0.0000 C   0  0  0  0  0  0
    2.3727    1.0876    0.0000 C   0  0  0  0  0  0
    3.7242    0.7315    0.0000 C   0  0  0  0  0  0
    3.9080   -0.6388    0.0000 C   0  0  0  0  0  0
    2.3977   -1.4848    0.0000 S   0  0  0  0  0  0
   -0.4280    1.0099   -0.0000 H   0  0  0  0  0  0
   -0.4159   -0.5081    0.8777 H   0  0  0  0  0  0
   -0.4159   -0.5081   -0.8777 H   0  0  0  0  0  0
    2.0385    2.1146    0.0000 H   0  0  0  0  0  0
    4.5337    1.4464    0.0000 H   0  0  0  0  0  0
    4.8415   -1.1818    0.0000 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  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
M  END
> <s_m_entry_id>
3178

> <s_m_entry_name>
structure generation_with STDDB ID and smile.2256

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
3178

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11jMVtjSF1bY0hdW2NIXXMx

> <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>
3.66855113789891

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC008084-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
