STDPC010212
                    3D
 Structure written by MMmdl.
 12 11  0  0  1  0            999 V2000
   -0.1651    1.8694   -0.0000 C   0  0  0  0  0  0
   -0.0019    0.0646    0.0000 S   0  0  0  0  0  0
    2.1467   -0.0054   -0.0000 S   0  0  0  0  0  0
    2.6178    0.5583   -1.2695 O   0  0  0  0  0  0
    2.6178    0.5583    1.2695 O   0  0  0  0  0  0
    2.5174   -1.8538    0.0000 C   0  0  0  0  0  0
   -1.2182    2.1497    0.0000 H   0  0  0  0  0  0
    0.3042    2.2961   -0.8866 H   0  0  0  0  0  0
    0.3042    2.2961    0.8866 H   0  0  0  0  0  0
    3.5977   -1.9963   -0.0000 H   0  0  0  0  0  0
    2.0829   -2.3024   -0.8929 H   0  0  0  0  0  0
    2.0829   -2.3024    0.8928 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
  3  4  2  0  0  0
  3  5  2  0  0  0
  3  6  1  0  0  0
  6 10  1  0  0  0
  6 11  1  0  0  0
  6 12  1  0  0  0
M  END
> <s_m_entry_id>
258

> <s_m_entry_name>
structure generation_with STDDB ID and smile.135

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
258

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11TUyg9TykoPU8pW0NIM10=

> <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>
-1.24531780170125

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC010212-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
