Mal-bata-Ala-D-Asp
                    3D
 Schrodinger Suite 2023-1.
 51 51  0  0  1  0            999 V2000
   -0.7849    1.5055   -0.1459 C   0  0  0  0  0  0
   -2.2234    1.5805    0.0873 N   0  0  0  0  0  0
   -3.1451    1.5630   -0.8899 C   0  0  0  0  0  0
   -4.6195    1.6317   -0.4347 C   0  0  2  0  0  0
   -5.3093    0.4686   -1.0251 N   0  0  0  0  0  0
   -2.8688    1.5028   -2.0905 O   0  0  0  0  0  0
   -0.2698    0.0786   -0.4573 C   0  0  0  0  0  0
    1.2203   -0.1688   -0.1815 C   0  0  0  0  0  0
    1.7088   -1.3379   -0.6303 N   0  0  0  0  0  0
    1.9055    0.6664    0.4118 O   0  0  0  0  0  0
    3.0971   -1.7771   -0.4773 C   0  0  0  0  0  0
    4.0316   -1.4475   -1.6665 C   0  0  0  0  0  0
    3.9472   -0.0727   -2.1613 N   0  0  0  0  0  0
    3.2109    0.3180   -3.2171 C   0  0  0  0  0  0
    3.2409    1.8116   -3.5802 C   0  0  0  0  0  0
    2.5226   -0.4539   -3.8853 O   0  0  0  0  0  0
    3.8491    2.1080   -4.9752 C   0  0  0  0  0  0
    5.2046    1.5709   -5.2054 N   0  0  0  0  0  0
    6.3105    2.1064   -4.6538 C   0  0  0  0  0  0
    7.3917    1.3017   -5.1290 C   0  0  0  0  0  0
    6.8953    0.3560   -5.9315 C   0  0  0  0  0  0
    5.4768    0.5177   -6.0010 C   0  0  0  0  0  0
    4.6778   -0.1627   -6.6445 O   0  0  0  0  0  0
    6.3754    3.0771   -3.8991 O   0  0  0  0  0  0
   -5.2668    2.9900   -0.8151 C   0  0  0  0  0  0
   -6.6783    3.2036   -0.2527 C   0  0  0  0  0  0
   -7.1450    2.5905    0.7055 O   0  0  0  0  0  0
   -7.3514    4.1810   -0.9253 O   0  0  0  0  0  0
   -0.3702    1.8206    0.8128 H   0  0  0  0  0  0
   -0.4017    2.2462   -0.8508 H   0  0  0  0  0  0
   -2.5265    1.6463    1.0482 H   0  0  0  0  0  0
   -4.6427    1.5289    0.6529 H   0  0  0  0  0  0
   -5.4916    0.6071   -2.0091 H   0  0  0  0  0  0
   -4.7630   -0.3757   -0.9305 H   0  0  0  0  0  0
   -0.5668   -0.2214   -1.4634 H   0  0  0  0  0  0
   -0.8186   -0.6213    0.1751 H   0  0  0  0  0  0
    1.0850   -1.9751   -1.1040 H   0  0  0  0  0  0
    2.9735   -2.8606   -0.4715 H   0  0  0  0  0  0
    3.5361   -1.5135    0.4872 H   0  0  0  0  0  0
    3.9889   -2.2026   -2.4542 H   0  0  0  0  0  0
    5.0502   -1.4684   -1.2779 H   0  0  0  0  0  0
    4.4956    0.6178   -1.6694 H   0  0  0  0  0  0
    3.8730    2.2974   -2.8344 H   0  0  0  0  0  0
    2.2471    2.2489   -3.4814 H   0  0  0  0  0  0
    3.8270    3.1792   -5.1806 H   0  0  0  0  0  0
    3.1876    1.6590   -5.7187 H   0  0  0  0  0  0
    8.4320    1.4459   -4.8770 H   0  0  0  0  0  0
    7.4603   -0.4060   -6.4482 H   0  0  0  0  0  0
   -5.3102    3.0905   -1.9014 H   0  0  0  0  0  0
   -4.6504    3.8161   -0.4564 H   0  0  0  0  0  0
   -8.2330    4.3287   -0.5754 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3  6  2  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 10  2  0  0  0
  9 11  1  0  0  0
  9 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 15 17  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 24  2  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 27  2  0  0  0
 26 28  1  0  0  0
 28 51  1  0  0  0
M  END
> <s_m_entry_id>
63

> <s_m_entry_name>
Mal-bata-Ala-(D)Asp.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>
9

> <i_lp_mmshare_version>
61128

> <i_f3d_flags>
0

> <r_lp_tautomer_probability>
1

> <s_lp_Force_Field>
S-OPLS

> <r_lp_Energy>
0.112635

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
Mal-ß-Ala-(D)Asp.sdf-1

> <s_m_job_name>
ligprep_5

$$$$
