STDPC006170
                    3D
 Structure written by MMmdl.
 13 13  0  0  1  0            999 V2000
   -0.0209   -0.0059   -0.0060 C   0  0  0  0  0  0
    1.5165    0.0070   -0.0004 C   0  0  1  0  0  0
    2.0930    0.5918    1.2585 C   0  0  0  0  0  0
    2.8218   -0.3449    1.8734 C   0  0  0  0  0  0
    2.7644   -1.5582    1.0861 C   0  0  0  0  0  0
    3.3107   -2.6299    1.3377 O   0  0  0  0  0  0
    1.9977   -1.3238    0.0056 O   0  0  0  0  0  0
   -0.4210    1.0079    0.0291 H   0  0  0  0  0  0
   -0.4230   -0.5506    0.8496 H   0  0  0  0  0  0
   -0.4037   -0.4799   -0.9103 H   0  0  0  0  0  0
    1.8911    0.5265   -0.8833 H   0  0  0  0  0  0
    1.9220    1.6095    1.5772 H   0  0  0  0  0  0
    3.3750   -0.2661    2.7976 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
M  END
> <s_m_entry_id>
5775

> <s_m_entry_name>
structure generation_with STDDB ID and smile.4143

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
5775

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0BIXTFbQ0hdPVtDSF1DKD1PKU8x

> <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>
-4.32471162630856

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC006170-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
