STDPC008517
                    3D
 Structure written by MMmdl.
  8  8  0  0  1  0            999 V2000
    0.0225   -4.1813   -0.0369 C   0  0  0  0  0  0
    0.9271   -4.9432    0.6975 C   0  0  0  0  0  0
    0.7943   -6.6056    0.2074 S   0  0  0  0  0  0
   -0.4365   -6.1130   -0.9090 C   0  0  0  0  0  0
   -0.7170   -4.8347   -0.9122 N   0  0  0  0  0  0
   -0.1083   -3.1139    0.0632 H   0  0  0  0  0  0
    1.6249   -4.6270    1.4589 H   0  0  0  0  0  0
   -0.9279   -6.8284   -1.5514 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
M  END
> <s_m_entry_id>
2616

> <s_m_entry_name>
structure generation_with STDDB ID and smile.1827

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
2616

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W2NIXTFbY0hdc1tjSF1uMQ==

> <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_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
1.53879986912275

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC008517-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
