STDPC000669
                    3D
 Structure written by MMmdl.
 10  9  0  0  1  0            999 V2000
    0.0076   -0.0139    0.0000 C   0  0  0  0  0  0
   -0.6265    1.1481    0.0000 N   0  3  0  0  0  0
    1.3310   -0.0457    0.0000 N   0  0  0  0  0  0
   -0.6817   -1.1440   -0.0000 N   0  0  0  0  0  0
   -0.0996    2.0095    0.0000 H   0  0  0  0  0  0
    1.8558    0.8169    0.0001 H   0  0  0  0  0  0
    1.8134   -0.9329    0.0000 H   0  0  0  0  0  0
   -1.6912   -1.1186   -0.0001 H   0  0  0  0  0  0
   -0.1968   -2.0298   -0.0000 H   0  0  0  0  0  0
   -1.6360    1.1712   -0.0000 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  2  5  1  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  3  7  1  0  0  0
  4  8  1  0  0  0
  4  9  1  0  0  0
M  CHG  1   2   1
M  END
> <s_m_entry_id>
13168

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9595

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
13168

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W05IMl1DKD1bTkhdKVtOSDJd

> <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>
2.19796674224112e-05

> <i_epik_Tot_Q>
1

> <i_epik_Tot_abs_Q>
1

> <s_epik_Chemistry_Notes>
This compound has an imine and may undergo hydrolysis.

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
-10.1391391618844

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000669-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
