STDPC007377
                    3D
 Structure written by MMmdl.
 13 12  0  0  1  0            999 V2000
   -0.6469    1.3982   -0.0000 C   0  0  0  0  0  0
    0.0611    0.0366    0.0000 C   0  0  0  0  0  0
    1.5947    0.1652    0.0001 C   0  0  0  0  0  0
    2.1953   -1.1389    0.0000 N   0  0  0  0  0  0
    3.2929   -1.6860   -0.0000 C   0  0  0  0  0  0
    4.7763   -2.2553    0.0001 S   0  0  0  0  0  0
   -1.7302    1.2738   -0.0000 H   0  0  0  0  0  0
   -0.3816    1.9825   -0.8817 H   0  0  0  0  0  0
   -0.3816    1.9825    0.8817 H   0  0  0  0  0  0
   -0.2643   -0.5301    0.8742 H   0  0  0  0  0  0
   -0.2643   -0.5301   -0.8742 H   0  0  0  0  0  0
    1.9286    0.7154   -0.8814 H   0  0  0  0  0  0
    1.9286    0.7154    0.8814 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
  2 10  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  5  2  0  0  0
  5  6  2  0  0  0
M  END
> <s_m_entry_id>
4193

> <s_m_entry_name>
structure generation_with STDDB ID and smile.2954

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
4193

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0gyXVtDSDJdTj1DPVM=

> <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>
0.855767647431187

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC007377-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
