STDPC006532
                    3D
 Structure written by MMmdl.
 10  9  0  0  1  0            999 V2000
   -0.1106    0.2723    1.1537 C   0  0  0  0  0  0
    0.4713    1.3582    1.1802 O   0  0  0  0  0  0
   -0.6453   -0.2637    2.2518 N   0  0  0  0  0  0
   -0.2999   -0.5211    0.0762 N   0  0  0  0  0  0
    0.0990   -0.3120   -1.1988 C   0  0  0  0  0  0
    0.7225    0.6908   -1.5552 O   0  0  0  0  0  0
   -0.1857   -1.1778   -2.0233 O   0  5  0  0  0  0
   -0.5782    0.2222    3.1338 H   0  0  0  0  0  0
   -1.1180   -1.1541    2.2075 H   0  0  0  0  0  0
   -0.8021   -1.3801    0.2399 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
  3  8  1  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
M  CHG  1   7  -1
M  END
> <s_m_entry_id>
5329

> <s_m_entry_name>
structure generation_with STDDB ID and smile.3782

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
5329

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
Tz1DKFtOSDJdKVtOSF1DKD1PKVtPSF0=

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0002

> <r_epik_Ionization_Penalty_Charging>
  0.0001

> <r_epik_Ionization_Penalty_Neutral>
  0.0001

> <r_epik_State_Penalty>
  0.0000

> <r_epik_Charging_Adjusted_Penalty>
5.75250280073746e-05

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
-2.36198419005929

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC006532-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
