STDPC002006
                    3D
 Structure written by MMmdl.
 13 12  0  0  1  0            999 V2000
   -0.0750    0.0452    0.0155 C   0  0  0  0  0  0
    1.4634    0.1130    0.0440 C   0  0  0  0  0  0
    2.0462    0.6942   -1.2554 C   0  0  0  0  0  0
    2.0077   -1.2028    0.2574 N   0  0  0  0  0  0
    2.2609   -2.0087    1.1482 C   0  0  0  0  0  0
    2.5294   -2.9506    2.3992 S   0  0  0  0  0  0
   -0.5066    1.0360   -0.1293 H   0  0  0  0  0  0
   -0.4738   -0.3478    0.9517 H   0  0  0  0  0  0
   -0.4362   -0.5926   -0.7928 H   0  0  0  0  0  0
    1.7690    0.7560    0.8718 H   0  0  0  0  0  0
    1.6719    1.7023   -1.4355 H   0  0  0  0  0  0
    1.7844    0.0863   -2.1229 H   0  0  0  0  0  0
    3.1346    0.7568   -1.2100 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 10  1  0  0  0
  3 11  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  5  2  0  0  0
  5  6  2  0  0  0
M  END
> <s_m_entry_id>
11450

> <s_m_entry_name>
structure generation_with STDDB ID and smile.8263

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
11450

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0hdKFtDSDNdKU49Qz1T

> <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>
-0.315519376836371

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC002006-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
