STDPC005752
                    3D
 Structure written by MMmdl.
 13 12  0  0  1  0            999 V2000
   -2.2217    1.0772    0.0000 C   0  0  0  0  0  0
   -0.7109    1.1639    0.0000 C   0  0  0  0  0  0
    0.1015    0.0889    0.0000 C   0  0  0  0  0  0
    1.5423    0.1997    0.0000 C   0  0  0  0  0  0
    2.1568    1.2708   -0.0000 O   0  0  0  0  0  0
    2.1772   -1.0210    0.0000 N   0  0  0  0  0  0
    3.3396   -1.4239    0.0000 C   0  0  0  0  0  0
    4.8823   -1.8080    0.0001 S   0  0  0  0  0  0
   -2.6582    2.0763   -0.0000 H   0  0  0  0  0  0
   -2.5762    0.5511    0.8869 H   0  0  0  0  0  0
   -2.5762    0.5511   -0.8869 H   0  0  0  0  0  0
   -0.3023    2.1658    0.0000 H   0  0  0  0  0  0
   -0.3157   -0.9093    0.0000 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  1 11  1  0  0  0
  2  3  2  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  7  8  2  0  0  0
M  END
> <s_m_entry_id>
6343

> <s_m_entry_name>
structure generation_with STDDB ID and smile.4552

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
6343

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM10vW0NIXT1bQ0hdL0MoPU8pTj1DPVM=

> <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>
2.55778948878486

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC005752-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
