STDPC007275
                    3D
 Structure written by MMmdl.
 10 10  0  0  1  0            999 V2000
   -0.0094   -0.0086   -0.0005 C   0  0  0  0  0  0
    1.5228   -0.0537   -0.0271 C   0  0  1  0  0  0
    2.2526   -0.2727    1.2771 C   0  0  0  0  0  0
    2.3342   -1.7199    0.1088 S   0  0  0  0  0  0
   -0.3637    0.9972    0.2254 H   0  0  0  0  0  0
   -0.4237   -0.6836    0.7496 H   0  0  0  0  0  0
   -0.4204   -0.2973   -0.9680 H   0  0  0  0  0  0
    1.9680    0.6085   -0.7706 H   0  0  0  0  0  0
    3.2020    0.2337    1.4513 H   0  0  0  0  0  0
    1.6898   -0.4524    2.1937 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  4  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
M  END
> <s_m_entry_id>
4304

> <s_m_entry_name>
structure generation_with STDDB ID and smile.3055

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
4304

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0BIXTFbQ0gyXVMx

> <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>
0.951465995846881

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC007275-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
