STDPC007776
                    3D
 Structure written by MMmdl.
  9  9  0  0  1  0            999 V2000
   -2.1261   -0.7604    1.1715 C   0  0  0  0  0  0
   -1.9360    0.1634    0.1612 C   0  0  0  0  0  0
   -2.4828   -0.4158   -0.9526 N   0  0  0  0  0  0
   -3.0001   -1.6281   -0.7213 N   0  0  0  0  0  0
   -2.7841   -1.8337    0.5589 C   0  0  0  0  0  0
   -1.8318   -0.6742    2.2071 H   0  0  0  0  0  0
   -1.4808    1.1424    0.1275 H   0  0  0  0  0  0
   -2.5062    0.0087   -1.8689 H   0  0  0  0  0  0
   -3.0969   -2.7459    1.0454 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  5  9  1  0  0  0
M  END
> <s_m_entry_id>
3654

> <s_m_entry_name>
structure generation_with STDDB ID and smile.2555

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
3654

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W2NIXTFbY0hdW25IXW5bY0hdMQ==

> <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>
2.31303264792129

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC007776-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
