Mal-PhenylGly-D-Lys
                    3D
 Schrodinger Suite 2023-1.
 66 67  0  0  1  0            999 V2000
   -8.6176    4.2280    5.5415 C   0  0  0  0  0  0
   -7.7826    3.6411    6.4034 C   0  0  0  0  0  0
   -6.4726    4.1757    6.2018 C   0  0  0  0  0  0
   -6.6034    5.0538    5.1876 N   0  0  0  0  0  0
   -7.8747    5.1618    4.7549 C   0  0  0  0  0  0
   -8.3049    5.9021    3.8701 O   0  0  0  0  0  0
   -5.4457    3.8889    6.8177 O   0  0  0  0  0  0
   -5.4900    5.8578    4.6466 C   0  0  0  0  0  0
   -5.0553    5.5741    3.1825 C   0  0  0  0  0  0
   -4.5801    4.1499    2.8493 C   0  0  0  0  0  0
   -3.8124    4.0359    1.7517 N   0  0  0  0  0  0
   -3.2496    2.7850    1.2451 C   0  0  0  0  0  0
   -2.0487    2.2713    2.0697 C   0  0  0  0  0  0
   -1.4189    1.0841    1.4958 N   0  0  0  0  0  0
   -4.8977    3.1877    3.5494 O   0  0  0  0  0  0
   -0.6114    1.0971    0.4211 C   0  0  0  0  0  0
   -0.0808   -0.2807   -0.0578 C   0  0  2  0  0  0
   -0.3300    2.1180   -0.2093 O   0  0  0  0  0  0
    1.3966   -0.2993   -0.0069 N   0  0  0  0  0  0
    2.2651    0.2373   -0.8903 C   0  0  0  0  0  0
    3.7571    0.1529   -0.5064 C   0  0  1  0  0  0
    4.3798   -0.8107   -1.4305 N   0  0  0  0  0  0
    1.9321    0.7722   -1.9502 O   0  0  0  0  0  0
    4.4359    1.5437   -0.5417 C   0  0  0  0  0  0
    5.8757    1.5460    0.0020 C   0  0  0  0  0  0
    6.5036    2.9500   -0.0038 C   0  0  0  0  0  0
    7.9647    2.9707    0.4717 C   0  0  0  0  0  0
    8.0531    2.6700    1.8878 N   0  0  0  0  0  0
   -0.6471   -0.8082   -1.3825 C   0  0  0  0  0  0
   -1.7455   -0.2115   -2.0274 C   0  0  0  0  0  0
   -2.2401   -0.7306   -3.2208 C   0  0  0  0  0  0
   -1.6498   -1.8586   -3.7814 C   0  0  0  0  0  0
   -0.5717   -2.4747   -3.1544 C   0  0  0  0  0  0
   -0.0795   -1.9548   -1.9608 C   0  0  0  0  0  0
   -9.6778    4.0427    5.4503 H   0  0  0  0  0  0
   -8.0426    2.8927    7.1375 H   0  0  0  0  0  0
   -4.6091    5.6869    5.2679 H   0  0  0  0  0  0
   -5.6782    6.9232    4.7851 H   0  0  0  0  0  0
   -4.4086    6.3642    2.7986 H   0  0  0  0  0  0
   -5.9542    5.6650    2.5721 H   0  0  0  0  0  0
   -3.6022    4.8682    1.2199 H   0  0  0  0  0  0
   -2.9376    2.9700    0.2167 H   0  0  0  0  0  0
   -4.0244    2.0180    1.1814 H   0  0  0  0  0  0
   -2.3873    1.9868    3.0665 H   0  0  0  0  0  0
   -1.3034    3.0590    2.2008 H   0  0  0  0  0  0
   -1.6167    0.2035    1.9486 H   0  0  0  0  0  0
   -0.3758   -1.0199    0.6897 H   0  0  0  0  0  0
    1.7784   -0.6512    0.8589 H   0  0  0  0  0  0
    3.8411   -0.2267    0.5143 H   0  0  0  0  0  0
    5.3751   -0.8606   -1.2663 H   0  0  0  0  0  0
    4.0271   -1.7420   -1.2622 H   0  0  0  0  0  0
    3.8476    2.2508    0.0467 H   0  0  0  0  0  0
    4.4394    1.9332   -1.5618 H   0  0  0  0  0  0
    6.4935    0.8735   -0.5939 H   0  0  0  0  0  0
    5.8764    1.1472    1.0170 H   0  0  0  0  0  0
    5.9053    3.6301    0.6044 H   0  0  0  0  0  0
    6.4671    3.3445   -1.0200 H   0  0  0  0  0  0
    8.3980    3.9567    0.3028 H   0  0  0  0  0  0
    8.5634    2.2548   -0.0922 H   0  0  0  0  0  0
    9.0194    2.7012    2.1805 H   0  0  0  0  0  0
    7.5712    3.3833    2.4162 H   0  0  0  0  0  0
   -2.2333    0.6600   -1.6178 H   0  0  0  0  0  0
   -3.0809   -0.2598   -3.7087 H   0  0  0  0  0  0
   -2.0338   -2.2609   -4.7072 H   0  0  0  0  0  0
   -0.1200   -3.3533   -3.5908 H   0  0  0  0  0  0
    0.7533   -2.4514   -1.4846 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  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 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 15  2  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 13 14  1  0  0  0
 13 44  1  0  0  0
 13 45  1  0  0  0
 14 16  1  0  0  0
 14 46  1  0  0  0
 16 17  1  0  0  0
 16 18  2  0  0  0
 17 19  1  0  0  0
 17 29  1  0  0  0
 17 47  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 23  2  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 21 49  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
 26 27  1  0  0  0
 26 56  1  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 27 59  1  0  0  0
 28 60  1  0  0  0
 28 61  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 62  1  0  0  0
 31 32  2  0  0  0
 31 63  1  0  0  0
 32 33  1  0  0  0
 32 64  1  0  0  0
 33 34  2  0  0  0
 33 65  1  0  0  0
 34 66  1  0  0  0
M  END
> <s_m_entry_id>
58

> <s_m_entry_name>
Mal-PhenylGly-(D)Lys.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>
4

> <i_lp_mmshare_version>
61128

> <i_f3d_flags>
0

> <r_lp_tautomer_probability>
1

> <s_lp_Force_Field>
S-OPLS

> <r_lp_Energy>
30.872328

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
Mal-PhenylGly-(D)Lys.sdf-1

> <s_m_job_name>
ligprep_5

$$$$
