STDPC007551
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -0.0220   -0.0023   -0.0000 C   0  0  0  0  0  0
    1.4915   -0.0085    0.0000 C   0  0  0  0  0  0
    2.2408   -1.1286    0.0000 C   0  0  0  0  0  0
    3.7811   -1.1429    0.0000 C   0  0  0  0  0  0
    4.2730   -2.2925    0.0000 O   0  0  0  0  0  0
    4.3444   -0.0245    0.0000 O   0  5  0  0  0  0
   -0.3963    1.0216   -0.0000 H   0  0  0  0  0  0
   -0.4081   -0.5058    0.8868 H   0  0  0  0  0  0
   -0.4081   -0.5058   -0.8868 H   0  0  0  0  0  0
    1.9642    0.9638    0.0000 H   0  0  0  0  0  0
    1.7294   -2.0808    0.0000 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  2  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
M  CHG  1   6  -1
M  END
> <s_m_entry_id>
3987

> <s_m_entry_name>
structure generation_with STDDB ID and smile.2780

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
3987

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM10vW0NIXT1bQ0hdL0MoPU8pW09IXQ==

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0024

> <r_epik_Ionization_Penalty_Charging>
  0.0024

> <r_epik_Ionization_Penalty_Neutral>
  0.0000

> <r_epik_State_Penalty>
  0.0017

> <r_epik_Charging_Adjusted_Penalty>
0.00407503602027097

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
4.87795560026997

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC007551-1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
