STDPC000802
                    3D
 Structure written by MMmdl.
 12 11  0  0  1  0            999 V2000
    0.0044    0.0545   -0.0042 C   0  0  0  0  0  0
    1.5530    0.0627   -0.0278 C   0  0  2  0  0  0
    2.1026   -1.3848   -0.0230 C   0  0  0  0  0  0
    1.7769   -2.1120   -0.9883 O   0  0  0  0  0  0
    2.8429   -1.7561    0.9179 O   0  5  0  0  0  0
    2.0633    0.7971    1.0781 O   0  0  0  0  0  0
   -0.5249    1.3618   -0.1227 O   0  0  0  0  0  0
   -0.3995   -0.5340   -0.8298 H   0  0  0  0  0  0
   -0.3737   -0.3932    0.9165 H   0  0  0  0  0  0
    1.8965    0.5457   -0.9439 H   0  0  0  0  0  0
    2.5843    0.1952    1.6162 H   0  0  0  0  0  0
   -1.4827    1.3051   -0.1075 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 10  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
  6 11  1  0  0  0
  7 12  1  0  0  0
M  CHG  1   5  -1
M  END
> <s_m_entry_id>
13005

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9463

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
13005

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W09IXVtDSDJdW0NAQEhdKFtPSF0pQyg9TylbT0hd

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0002

> <r_epik_Ionization_Penalty_Charging>
  0.0002

> <r_epik_Ionization_Penalty_Neutral>
  0.0000

> <r_epik_State_Penalty>
  0.0000

> <r_epik_Charging_Adjusted_Penalty>
0.000190023921347745

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
10.064175209519

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000802-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
