STDPC005740
                    3D
 Structure written by MMmdl.
 14 13  0  0  1  0            999 V2000
   -0.9929    2.1260   -1.1095 C   0  0  0  0  0  0
   -0.3219    1.5272   -0.1129 C   0  0  0  0  0  0
    0.0599    0.0560   -0.0847 C   0  0  0  0  0  0
    1.5771   -0.2168   -0.0954 C   0  0  0  0  0  0
    2.2069    0.3113    1.0846 N   0  0  0  0  0  0
    3.2715    0.7792    1.4743 C   0  0  0  0  0  0
    4.6840    1.2474    2.0309 S   0  0  0  0  0  0
   -1.3117    1.5770   -1.9836 H   0  0  0  0  0  0
   -1.2327    3.1780   -1.0629 H   0  0  0  0  0  0
   -0.0236    2.1141    0.7440 H   0  0  0  0  0  0
   -0.3943   -0.3976    0.7976 H   0  0  0  0  0  0
   -0.3918   -0.4459   -0.9420 H   0  0  0  0  0  0
    1.7580   -1.2914   -0.1425 H   0  0  0  0  0  0
    2.0312    0.2189   -0.9874 H   0  0  0  0  0  0
  1  2  2  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
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  6  2  0  0  0
  6  7  2  0  0  0
M  END
> <s_m_entry_id>
6356

> <s_m_entry_name>
structure generation_with STDDB ID and smile.4564

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
6356

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIMl09W0NIXVtDSDJdW0NIMl1OPUM9Uw==

> <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>
-1.24776732489636

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC005740-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
