STDPC008764
                    3D
 Structure written by MMmdl.
  9  9  0  0  1  0            999 V2000
    0.0573  -11.9290   -2.2431 C   0  0  0  0  0  0
    0.4208  -10.6776   -1.4807 C   0  0  0  0  0  0
   -0.8939  -10.7568   -2.2187 C   0  0  0  0  0  0
   -0.2038  -12.8264   -1.6817 H   0  0  0  0  0  0
    0.5899  -12.1514   -3.1681 H   0  0  0  0  0  0
    0.4117  -10.7078   -0.3909 H   0  0  0  0  0  0
    1.2054  -10.0327   -1.8772 H   0  0  0  0  0  0
   -1.0205  -10.1668   -3.1267 H   0  0  0  0  0  0
   -1.8142  -10.8418   -1.6404 H   0  0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  3  8  1  0  0  0
  3  9  1  0  0  0
M  END
> <s_m_entry_id>
2243

> <s_m_entry_name>
structure generation_with STDDB ID and smile.1580

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
2243

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIMl0xW0NIMl1bQ0gyXTE=

> <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_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
7.24292300568516

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC008764-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
