STDPC009098
                    3D
 Structure written by MMmdl.
 10 10  0  0  1  0            999 V2000
   -0.0302   -0.8474    1.2481 C   0  0  0  0  0  0
   -0.0307    0.0580    0.0497 C   0  0  0  0  0  0
   -0.0019   -0.7310   -1.0293 C   0  0  0  0  0  0
    0.0185   -2.0486   -0.7537 O   0  0  0  0  0  0
    0.0037   -2.2146    0.5774 C   0  0  0  0  0  0
    0.0169   -3.3248    1.1051 O   0  0  0  0  0  0
   -0.9218   -0.7227    1.8628 H   0  0  0  0  0  0
    0.8395   -0.6906    1.8864 H   0  0  0  0  0  0
   -0.0510    1.1371    0.0950 H   0  0  0  0  0  0
    0.0080   -0.4970   -2.0842 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
M  END
> <s_m_entry_id>
1764

> <s_m_entry_name>
structure generation_with STDDB ID and smile.1246

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
1764

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
Tz1DMVtDSDJdW0NIXT1bQ0hdTzE=

> <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>
-3.04600397372529

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC009098-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
