STDPC001946
                    3D
 Structure written by MMmdl.
 10  9  0  0  1  0            999 V2000
   -0.0223    0.0035   -0.0010 C   0  0  0  0  0  0
    1.5160   -0.0128    0.0000 C   0  0  0  0  0  0
    2.0409   -1.4527    0.0131 C   0  0  0  0  0  0
    2.2395   -2.0006   -1.0939 O   0  0  0  0  0  0
    2.2323   -1.9830    1.1297 O   0  5  0  0  0  0
   -0.3945    1.0281   -0.0038 H   0  0  0  0  0  0
   -0.4322   -0.4885    0.8824 H   0  0  0  0  0  0
   -0.4302   -0.4928   -0.8830 H   0  0  0  0  0  0
    1.8971    0.5096   -0.8787 H   0  0  0  0  0  0
    1.8966    0.5248    0.8698 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
M  CHG  1   5  -1
M  END
> <s_m_entry_id>
11514

> <s_m_entry_name>
structure generation_with STDDB ID and smile.8323

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
11514

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0gyXUMoPU8pW09IXQ==

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0040

> <r_epik_Ionization_Penalty_Charging>
  0.0040

> <r_epik_Ionization_Penalty_Neutral>
  0.0000

> <r_epik_State_Penalty>
  0.0029

> <r_epik_Charging_Adjusted_Penalty>
0.00685023819436197

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
2.87346782486639

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001946-1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
