STDPC002494
                    3D
 Structure written by MMmdl.
 14 13  0  0  1  0            999 V2000
   -0.5816    1.4474    0.0050 C   0  0  0  0  0  0
   -0.0330    0.0124    0.0243 C   0  0  0  0  0  0
    1.4949   -0.0244    0.0663 C   0  0  0  0  0  0
    2.1035   -0.0708    1.1370 O   0  0  0  0  0  0
    2.0458    0.0036   -1.1648 O   0  0  0  0  0  0
    3.4567   -0.0211   -1.3233 C   0  0  0  0  0  0
   -1.6715    1.4403   -0.0181 H   0  0  0  0  0  0
   -0.2393    1.9969   -0.8732 H   0  0  0  0  0  0
   -0.2770    2.0057    0.8915 H   0  0  0  0  0  0
   -0.4201   -0.5183    0.8947 H   0  0  0  0  0  0
   -0.3819   -0.5325   -0.8536 H   0  0  0  0  0  0
    3.7097    0.0029   -2.3832 H   0  0  0  0  0  0
    3.8842   -0.9278   -0.8928 H   0  0  0  0  0  0
    3.9200    0.8426   -0.8439 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 10  1  0  0  0
  2 11  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
  5  6  1  0  0  0
  6 12  1  0  0  0
  6 13  1  0  0  0
  6 14  1  0  0  0
M  END
> <s_m_entry_id>
10774

> <s_m_entry_name>
structure generation_with STDDB ID and smile.7777

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
10774

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0gyXUMoPU8pT1tDSDNd

> <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 ester and may undergo hydrolysis at high or low pH.

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
1.29830663113707

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC002494-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
