STDPC000990
                    3D
 Structure written by MMmdl.
 11 10  0  0  1  0            999 V2000
   -0.0422    0.0232    0.0000 C   0  0  0  0  0  0
    1.4914    0.0400   -0.0000 C   0  0  0  0  0  0
    2.0222   -1.3964    0.0000 N   0  3  0  0  0  0
   -0.4385    1.0391   -0.0000 H   0  0  0  0  0  0
   -0.4365   -0.4829    0.8822 H   0  0  0  0  0  0
   -0.4365   -0.4829   -0.8822 H   0  0  0  0  0  0
    1.9146    0.4992   -0.8941 H   0  0  0  0  0  0
    1.9146    0.4992    0.8941 H   0  0  0  0  0  0
    3.0325   -1.3930   -0.0000 H   0  0  0  0  0  0
    1.6993   -1.8879   -0.8213 H   0  0  0  0  0  0
    1.6993   -1.8879    0.8212 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2  8  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  3 11  1  0  0  0
M  CHG  1   3   1
M  END
> <s_m_entry_id>
12756

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9275

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12756

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIM11bQ0gyXVtOSDJd

> <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLW50JywgJy1tYScsICcyMDAnLCAnLWltYWUnLCAnPGluZmlsZS5tYWU+JywgJy1vbWFlJywgJzxvdXRmaWxlLm1hZT4n

> <r_epik_Ionization_Penalty>
  0.0005

> <r_epik_Ionization_Penalty_Charging>
  0.0005

> <r_epik_Ionization_Penalty_Neutral>
  0.0000

> <r_epik_State_Penalty>
  0.0003

> <r_epik_Charging_Adjusted_Penalty>
0.000831720522405103

> <i_epik_Tot_Q>
1

> <i_epik_Tot_abs_Q>
1

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
4.14520006433192

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC000990-1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
