STDPC009807
                    3D
 Structure written by MMmdl.
 13 12  0  0  1  0            999 V2000
   -0.7093   -1.2775   -0.0003 C   0  0  0  0  0  0
    0.1190   -0.0690   -0.0001 N   0  0  0  0  0  0
    1.4523   -0.0418   -0.0000 C   0  0  0  0  0  0
    2.1880   -1.1480    0.0000 N   0  0  0  0  0  0
    2.0684    1.1307    0.0000 N   0  3  0  0  0  0
   -1.7582   -0.9804   -0.0002 H   0  0  0  0  0  0
   -0.4875   -1.8597    0.8944 H   0  0  0  0  0  0
   -0.4876   -1.8594   -0.8952 H   0  0  0  0  0  0
    3.1959   -1.0850    0.0001 H   0  0  0  0  0  0
    1.7362   -2.0512   -0.0000 H   0  0  0  0  0  0
    1.5287    1.9844    0.0000 H   0  0  0  0  0  0
    3.0776    1.1699    0.0001 H   0  0  0  0  0  0
   -0.3592    0.8207    0.0000 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 13  1  0  0  0
  3  4  1  0  0  0
  3  5  2  0  0  0
  4  9  1  0  0  0
  4 10  1  0  0  0
  5 11  1  0  0  0
  5 12  1  0  0  0
M  CHG  1   5   1
M  END
> <s_m_entry_id>
792

> <s_m_entry_name>
structure generation_with STDDB ID and smile.539

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
792

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11OPUMoW05IMl0pW05IMl0=

> <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>
1.83165367415355e-05

> <i_epik_Tot_Q>
1

> <i_epik_Tot_abs_Q>
1

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

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
-1.39336179471479

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC009807-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
