Mal-Ile-Pro
                    3D
 Schrodinger Suite 2023-1.
 61 62  0  0  1  0            999 V2000
   -4.7209    6.8715   -5.3892 C   0  0  0  0  0  0
   -3.4017    7.0841   -5.3618 C   0  0  0  0  0  0
   -2.8701    6.4853   -4.1777 C   0  0  0  0  0  0
   -3.9307    5.9353   -3.5579 N   0  0  0  0  0  0
   -5.0852    6.1277   -4.2241 C   0  0  0  0  0  0
   -6.2093    5.7430   -3.9010 O   0  0  0  0  0  0
   -1.6964    6.4718   -3.8059 O   0  0  0  0  0  0
   -3.8274    5.2142   -2.2815 C   0  0  0  0  0  0
   -3.5827    3.6955   -2.4419 C   0  0  0  0  0  0
   -3.8450    2.8554   -1.1854 C   0  0  0  0  0  0
   -3.3525    1.6047   -1.2073 N   0  0  0  0  0  0
   -3.4725    0.6339   -0.1177 C   0  0  0  0  0  0
   -2.5600    0.9268    1.0946 C   0  0  0  0  0  0
   -1.1327    0.9550    0.7766 N   0  0  0  0  0  0
   -4.4716    3.3190   -0.2310 O   0  0  0  0  0  0
   -0.3644   -0.1381    0.6337 C   0  0  0  0  0  0
    1.1224    0.1252    0.3012 C   0  0  2  0  0  0
   -0.7822   -1.2886    0.7662 O   0  0  0  0  0  0
    1.6279   -0.7578   -0.7634 N   0  0  0  0  0  0
    1.9056   -2.0759   -0.7077 C   0  0  0  0  0  0
    3.5551   -3.5738   -1.7872 N   0  0  1  0  0  0
    1.9885    0.1143    1.6090 C   0  0  2  0  0  0
    1.4063    0.9539    2.7714 C   0  0  0  0  0  0
    3.4380    0.5696    1.3094 C   0  0  0  0  0  0
    4.4322    0.2977    2.4488 C   0  0  0  0  0  0
    1.7732   -2.7552    0.3125 O   0  0  0  0  0  0
    2.3879   -2.7228   -2.0293 C   0  0  1  0  0  0
    3.1752   -4.9612   -2.0319 C   0  0  0  0  0  0
    1.6495   -5.0105   -2.0762 C   0  0  0  0  0  0
    1.2976   -3.6359   -2.6222 C   0  0  0  0  0  0
   -5.4065    7.2010   -6.1561 H   0  0  0  0  0  0
   -2.8237    7.6173   -6.1024 H   0  0  0  0  0  0
   -4.7761    5.3550   -1.7594 H   0  0  0  0  0  0
   -3.0961    5.6560   -1.6027 H   0  0  0  0  0  0
   -2.5989    3.5152   -2.8778 H   0  0  0  0  0  0
   -4.2563    3.3244   -3.2161 H   0  0  0  0  0  0
   -2.8575    1.2936   -2.0304 H   0  0  0  0  0  0
   -3.2149   -0.3413   -0.5328 H   0  0  0  0  0  0
   -4.5125    0.5505    0.2038 H   0  0  0  0  0  0
   -2.7526    0.1913    1.8785 H   0  0  0  0  0  0
   -2.8353    1.8824    1.5421 H   0  0  0  0  0  0
   -0.7130    1.8668    0.6655 H   0  0  0  0  0  0
    1.1832    1.1298   -0.1202 H   0  0  0  0  0  0
    1.7650   -0.2944   -1.6494 H   0  0  0  0  0  0
    4.3269   -3.3036   -2.3804 H   0  0  0  0  0  0
    2.0411   -0.9093    1.9783 H   0  0  0  0  0  0
    1.2586    1.9920    2.4726 H   0  0  0  0  0  0
    0.4512    0.5659    3.1248 H   0  0  0  0  0  0
    2.0680    0.9528    3.6369 H   0  0  0  0  0  0
    3.4416    1.6349    1.0749 H   0  0  0  0  0  0
    3.8175    0.0716    0.4174 H   0  0  0  0  0  0
    5.4404    0.1582    2.0579 H   0  0  0  0  0  0
    4.4650    1.1317    3.1501 H   0  0  0  0  0  0
    4.1704   -0.6012    3.0078 H   0  0  0  0  0  0
    2.6626   -1.9279   -2.7256 H   0  0  0  0  0  0
    3.5667   -5.5776   -1.2217 H   0  0  0  0  0  0
    3.6138   -5.3194   -2.9644 H   0  0  0  0  0  0
    1.2380   -5.1736   -1.0786 H   0  0  0  0  0  0
    1.2813   -5.8148   -2.7138 H   0  0  0  0  0  0
    1.3392   -3.6105   -3.7124 H   0  0  0  0  0  0
    0.2806   -3.3444   -2.3514 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3  7  2  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 15  2  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 16  1  0  0  0
 14 42  1  0  0  0
 16 17  1  0  0  0
 16 18  2  0  0  0
 17 19  1  0  0  0
 17 22  1  0  0  0
 17 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 26  2  0  0  0
 20 27  1  0  0  0
 21 27  1  0  0  0
 21 28  1  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 25 52  1  0  0  0
 25 53  1  0  0  0
 25 54  1  0  0  0
 27 30  1  0  0  0
 27 55  1  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 28 57  1  0  0  0
 29 30  1  0  0  0
 29 58  1  0  0  0
 29 59  1  0  0  0
 30 60  1  0  0  0
 30 61  1  0  0  0
M  END
> <s_m_entry_id>
66

> <s_m_entry_name>
Mal-Ile-Pro.1

> <s_m_Source_Path>
D:\Schrodinger_2023-1\projects\ligprep_5

> <s_m_Source_File>
ligprep_5-out.maegz

> <i_m_Source_File_Index>
1

> <s_m_source_file>
ligprep_5.maegz

> <i_m_source_file_index>
11

> <i_lp_mmshare_version>
61128

> <i_f3d_flags>
0

> <r_lp_tautomer_probability>
1

> <s_lp_Force_Field>
S-OPLS

> <r_lp_Energy>
21.331783

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
Mal-Ile-Pro.sdf-1

> <s_m_job_name>
ligprep_5

$$$$
