STDPC000975
                    3D
 Structure written by MMmdl.
 14 13  0  0  1  0            999 V2000
   -0.6665    1.4371   -0.2562 C   0  0  0  0  0  0
   -0.0011    0.0877    0.0404 C   0  0  0  0  0  0
    1.4974    0.1904    0.2506 C   0  0  0  0  0  0
    2.1318   -0.1164    1.3947 C   0  0  0  0  0  0
    3.4656   -0.0185    1.5529 N   0  0  0  0  0  0
    4.4339   -0.1611    2.2913 C   0  0  0  0  0  0
    5.6458   -0.2209    3.3175 S   0  0  0  0  0  0
   -1.7388    1.3156   -0.4114 H   0  0  0  0  0  0
   -0.2524    1.8951   -1.1553 H   0  0  0  0  0  0
   -0.5291    2.1361    0.5696 H   0  0  0  0  0  0
   -0.4689   -0.3620    0.9178 H   0  0  0  0  0  0
   -0.1799   -0.5977   -0.7887 H   0  0  0  0  0  0
    2.0684    0.5354   -0.6006 H   0  0  0  0  0  0
    1.5830   -0.4639    2.2588 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  3 13  1  0  0  0
  4  5  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>
12781

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9290

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12781

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0gyXS9bQ0hdPVtDSF0vTj1DPVM=

> <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>
-1.53162228979022

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000975-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
