STDPC001017
                    3D
 Structure written by MMmdl.
  8  7  0  0  1  0            999 V2000
   -0.0589    0.0000   -0.0000 C   0  0  0  0  0  0
    1.4721   -0.0000    0.0000 N   0  3  0  0  0  0
   -0.3727    1.0444    0.0000 H   0  0  0  0  0  0
   -0.3727   -0.5222    0.9045 H   0  0  0  0  0  0
   -0.3727   -0.5222   -0.9045 H   0  0  0  0  0  0
    1.8216   -0.9480   -0.0000 H   0  0  0  0  0  0
    1.8216    0.4740    0.8210 H   0  0  0  0  0  0
    1.8216    0.4740   -0.8210 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  2  8  1  0  0  0
M  CHG  1   2   1
M  END
> <s_m_entry_id>
12723

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9248

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12723

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bTkgyXQ==

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0005

> <r_epik_Ionization_Penalty_Charging>
  0.0005

> <r_epik_Ionization_Penalty_Neutral>
  0.0000

> <r_epik_State_Penalty>
  0.0003

> <r_epik_Charging_Adjusted_Penalty>
0.000831720522405103

> <i_epik_Tot_Q>
1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
5.46017290697011

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001017-1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
