STDPC002694
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -0.0003    0.0274   -0.0000 C   0  0  0  0  0  0
    1.5213   -0.0054    0.0000 C   0  0  0  0  0  0
    2.2237   -1.1556    0.0000 C   0  0  0  0  0  0
    2.1942    1.2947    0.0000 C   0  0  0  0  0  0
    3.4175    1.4395    0.0000 O   0  0  0  0  0  0
   -0.4174    1.0361   -0.0000 H   0  0  0  0  0  0
   -0.3842   -0.4873    0.8814 H   0  0  0  0  0  0
   -0.3842   -0.4873   -0.8814 H   0  0  0  0  0  0
    1.7170   -2.1098    0.0000 H   0  0  0  0  0  0
    3.3050   -1.1758    0.0000 H   0  0  0  0  0  0
    1.5468    2.1720    0.0000 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
M  END
> <s_m_entry_id>
10542

> <s_m_entry_name>
structure generation_with STDDB ID and smile.7581

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
10542

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11DKD1bQ0gyXSlbQ0hdPU8=

> <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>
4.02085503183031

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC002694-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
