STDPC001067
                    3D
 Structure written by MMmdl.
 13 13  0  0  1  0            999 V2000
   -6.3222    1.7320    0.2211 C   0  0  0  0  0  0
   -5.8101    2.9641   -0.5476 C   0  0  0  0  0  0
   -6.4680    4.1427   -0.5578 C   0  0  0  0  0  0
   -7.6508    4.3173    0.1259 N   0  0  0  0  0  0
   -8.2184    3.2952    0.8537 C   0  0  0  0  0  0
   -7.6443    2.0760    0.9316 C   0  0  0  0  0  0
   -5.5805    1.4369    0.9635 H   0  0  0  0  0  0
   -6.4921    0.9149   -0.4803 H   0  0  0  0  0  0
   -4.8870    2.8904   -1.1036 H   0  0  0  0  0  0
   -6.1112    5.0087   -1.0957 H   0  0  0  0  0  0
   -8.1127    5.2150    0.0920 H   0  0  0  0  0  0
   -9.1455    3.5395    1.3513 H   0  0  0  0  0  0
   -8.1387    1.3159    1.5186 H   0  0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5 12  1  0  0  0
  6 13  1  0  0  0
M  END
> <s_m_entry_id>
12661

> <s_m_entry_name>
structure generation_with STDDB ID and smile.9198

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

> <s_m_Source_File>
ligprep_1-out.maegz

> <i_m_Source_File_Index>
12661

> <i_lp_mmshare_version>
43012

> <i_f3d_flags>
0

> <s_epik_input>
W0NIMl0xW0NIXT1bQ0hdW05IXVtDSF09W0NIXTE=

> <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>
1.63132252404696e-13

> <i_epik_Tot_Q>
0

> <i_epik_Tot_abs_Q>
0

> <s_epik_Chemistry_Notes>
This compound has an imine and may undergo hydrolysis.

> <s_lp_Force_Field>
OPLS3e

> <r_lp_Energy>
1.12031490282355

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
STDPC001067-1

> <r_lp_tautomer_probability>
1

> <s_m_subgroup_title>
ligprep_1-out

> <s_m_subgroupid>
ligprep_1-out

> <b_m_subgroup_collapsed>
0

$$$$
