STDPC009320
                    3D
 Structure written by MMmdl.
 10  9  0  0  1  0            999 V2000
   -0.0267    0.0244    0.0000 C   0  0  0  0  0  0
    1.4853   -0.0314    0.0000 C   0  0  0  0  0  0
    2.1958   -1.1700    0.0000 C   0  0  0  0  0  0
    3.9793   -1.1633    0.0000 S   0  0  0  0  0  0
   -0.3664    1.0604   -0.0000 H   0  0  0  0  0  0
   -0.4291   -0.4663    0.8867 H   0  0  0  0  0  0
   -0.4291   -0.4663   -0.8867 H   0  0  0  0  0  0
    1.9976    0.9203    0.0000 H   0  0  0  0  0  0
    1.7334   -2.1466    0.0000 H   0  0  0  0  0  0
    4.1468   -2.4888    0.0000 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4 10  1  0  0  0
M  END
> <s_m_entry_id>
1508

> <s_m_entry_name>
structure generation_with STDDB ID and smile.1024

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
1508

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM10vW0NIXT1bQ0hdL1tTSF0=

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0065

> <r_epik_Ionization_Penalty_Charging>
  0.0000

> <r_epik_Ionization_Penalty_Neutral>
  0.0065

> <r_epik_State_Penalty>
  0.0048

> <r_epik_Charging_Adjusted_Penalty>
0.00478021402401543

> <i_epik_Tot_Q>
0

> <i_epik_Tot_abs_Q>
0

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
0.463232324935447

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC009320-1

> <r_lp_tautomer_probability>
4.99975001249937e-05

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
