STDPC007287
                    3D
 Structure written by MMmdl.
 10  9  0  0  1  0            999 V2000
   -0.7787    1.1439   -0.1341 C   0  0  0  0  0  0
   -0.0035    0.0750    0.1074 C   0  0  0  0  0  0
    1.5107    0.0767    0.0609 C   0  0  0  0  0  0
    2.2389   -0.3144    1.6721 S   0  0  0  0  0  0
   -0.3518    2.1048   -0.3824 H   0  0  0  0  0  0
   -1.8552    1.0705   -0.0857 H   0  0  0  0  0  0
   -0.4706   -0.8684    0.3508 H   0  0  0  0  0  0
    1.8461   -0.6586   -0.6708 H   0  0  0  0  0  0
    1.8835    1.0491   -0.2641 H   0  0  0  0  0  0
    3.5121   -0.2340    1.2751 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3  9  1  0  0  0
  4 10  1  0  0  0
M  END
> <s_m_entry_id>
4291

> <s_m_entry_name>
structure generation_with STDDB ID and smile.3043

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
4291

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIMl09W0NIXVtDSDJdW1NIXQ==

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0033

> <r_epik_Ionization_Penalty_Charging>
  0.0000

> <r_epik_Ionization_Penalty_Neutral>
  0.0033

> <r_epik_State_Penalty>
  0.0023

> <r_epik_Charging_Adjusted_Penalty>
0.00233752375407691

> <i_epik_Tot_Q>
0

> <i_epik_Tot_abs_Q>
0

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
-0.690979168615435

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC007287-1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
