STDPC000566
                    3D
 Structure written by MMmdl.
 13 13  0  0  1  0            999 V2000
    5.1197    4.7718   -0.2374 C   0  0  0  0  0  0
    4.6055    6.0120   -0.3583 C   0  0  0  0  0  0
    3.2244    6.4057   -0.3770 C   0  0  0  0  0  0
    2.1319    5.7518   -0.2913 N   0  0  0  0  0  0
    2.0521    4.3447   -0.1439 N   0  0  0  0  0  0
    3.0581    3.3788   -0.0602 C   0  0  0  0  0  0
    4.3938    3.5225   -0.0964 C   0  0  0  0  0  0
    6.1975    4.6964   -0.2464 H   0  0  0  0  0  0
    5.3205    6.8163   -0.4535 H   0  0  0  0  0  0
    3.1017    7.4793   -0.4862 H   0  0  0  0  0  0
    1.0836    4.0612   -0.0995 H   0  0  0  0  0  0
    2.6616    2.3797    0.0487 H   0  0  0  0  0  0
    4.9852    2.6223   -0.0133 H   0  0  0  0  0  0
  1  7  1  0  0  0
  1  2  2  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  3  4  2  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7 13  1  0  0  0
M  END
> <s_m_entry_id>
13318

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9697

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
13318

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIXTE9W0NIXVtDSF09TltOSF1bQ0hdPVtDSF0x

> <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_epik_Chemistry_Notes>
This compound has an imine and may undergo hydrolysis.

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
13.8173634054831

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000566-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
