STDPC005736
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -0.7535    1.1499   -0.0182 C   0  0  0  0  0  0
    0.0324    0.0732    0.1392 C   0  0  0  0  0  0
    1.5101    0.0247   -0.1974 C   0  0  0  0  0  0
    2.2717   -0.3660    0.9540 N   0  0  0  0  0  0
    3.3226   -0.1201    1.5371 C   0  0  0  0  0  0
    4.7026    0.0492    2.3063 S   0  0  0  0  0  0
   -0.3642    2.0795   -0.4075 H   0  0  0  0  0  0
   -1.8013    1.1142    0.2422 H   0  0  0  0  0  0
   -0.3992   -0.8368    0.5314 H   0  0  0  0  0  0
    1.6650   -0.7128   -0.9855 H   0  0  0  0  0  0
    1.8559    0.9896   -0.5740 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
  5  6  2  0  0  0
M  END
> <s_m_entry_id>
6360

> <s_m_entry_name>
structure generation_with STDDB ID and smile.4568

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
6360

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIMl09W0NIXVtDSDJdTj1DPVM=

> <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>
1.53177597168303

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC005736-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
