STDPC000987
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -0.0867    0.0315   -0.0000 C   0  0  0  0  0  0
    1.4472   -0.0181    0.0000 N   0  3  0  0  0  0
    2.0052   -1.4478   -0.0000 C   0  0  0  0  0  0
   -0.3589    1.0873    0.0000 H   0  0  0  0  0  0
   -0.4288   -0.4717    0.9054 H   0  0  0  0  0  0
   -0.4288   -0.4717   -0.9054 H   0  0  0  0  0  0
    1.7915    0.4688   -0.8159 H   0  0  0  0  0  0
    3.0914   -1.3524    0.0000 H   0  0  0  0  0  0
    1.6449   -1.9380   -0.9054 H   0  0  0  0  0  0
    1.6449   -1.9380    0.9054 H   0  0  0  0  0  0
    1.7915    0.4688    0.8159 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 11  1  0  0  0
  3  8  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
M  CHG  1   2   1
M  END
> <s_m_entry_id>
12759

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9278

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12759

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bTkhdW0NIM10=

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0003

> <r_epik_Ionization_Penalty_Charging>
  0.0003

> <r_epik_Ionization_Penalty_Neutral>
  0.0000

> <r_epik_State_Penalty>
  0.0000

> <r_epik_Charging_Adjusted_Penalty>
0.000270756371576617

> <i_epik_Tot_Q>
1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
9.02100805546465

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000987-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
