STDPC001382
                    3D
 Structure written by MMmdl.
  8  7  0  0  1  0            999 V2000
   -0.7094    1.1517    0.0000 C   0  0  0  0  0  0
    0.0334    0.0291    0.0000 C   0  0  0  0  0  0
    1.5735    0.0068    0.0000 C   0  0  0  0  0  0
    2.0596   -1.1454   -0.0000 O   0  0  0  0  0  0
    2.1425    1.1223    0.0000 O   0  5  0  0  0  0
   -0.2626    2.1358   -0.0000 H   0  0  0  0  0  0
   -1.7879    1.0967    0.0000 H   0  0  0  0  0  0
   -0.4866   -0.9180    0.0000 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2  8  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>
12230

> <s_m_entry_name>
structure generation_with STDDB ID and smile.8887

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12230

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIMl09W0NIXUMoPU8pW09IXQ==

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0013

> <r_epik_Ionization_Penalty_Charging>
  0.0013

> <r_epik_Ionization_Penalty_Neutral>
  0.0000

> <r_epik_State_Penalty>
  0.0008

> <r_epik_Charging_Adjusted_Penalty>
0.0021034028687149

> <i_epik_Tot_Q>
-1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
5.12560505747708

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001382-1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
