STDPC005745
                    3D
 Structure written by MMmdl.
 14 14  0  0  1  0            999 V2000
   -2.8375    0.0604    0.0000 C   0  0  0  0  0  0
   -2.0684    1.2203    0.0000 C   0  0  0  0  0  0
   -0.6790    1.1257    0.0000 C   0  0  0  0  0  0
   -0.0439   -0.1207   -0.0000 C   0  0  0  0  0  0
   -0.8375   -1.2785    0.0000 C   0  0  0  0  0  0
   -2.2271   -1.1904    0.0000 C   0  0  0  0  0  0
    1.3518   -0.1679   -0.0000 N   0  0  0  0  0  0
    2.2220   -1.0374   -0.0000 C   0  0  0  0  0  0
    3.2357   -2.2614   -0.0001 S   0  0  0  0  0  0
   -3.9153    0.1313   -0.0000 H   0  0  0  0  0  0
   -2.5467    2.1888    0.0000 H   0  0  0  0  0  0
   -0.0913    2.0327    0.0000 H   0  0  0  0  0  0
   -0.3762   -2.2556    0.0000 H   0  0  0  0  0  0
   -2.8280   -2.0879    0.0000 H   0  0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 13  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  8  9  2  0  0  0
M  END
> <s_m_entry_id>
6350

> <s_m_entry_name>
structure generation_with STDDB ID and smile.4559

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
6350

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W2NIXTFbY0hdW2NIXVtjSF1bY0hdYzFOPUM9Uw==

> <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_epik_Chemistry_Notes>
This compound has an imine and may undergo hydrolysis.

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
9.86200987498211

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC005745-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
