Mal-bata-Ala-D-Asp
     RDKit          2D

 28 28  0  0  1  0  0  0  0  0999 V2000
   -4.5259    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8531   -0.3029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1220    0.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4492   -0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5077   -1.7005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0635    1.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2570   -0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9298    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609   -0.5053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8713    1.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6663    0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5313   -0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586   -0.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4729   -2.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1274   -0.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4547   -0.1101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8002   -0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8465    0.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1477    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694    1.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    2.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0546   -2.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7181    0.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0453   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1038   -1.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3142    0.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  7  1  0
  2  3  1  0
  3  4  1  0
  3  6  2  0
  4  5  1  0
  4 25  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 18 22  1  0
 19 20  1  0
 19 24  2  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
M  END
>  <s_m_entry_id>  (1) 
63

>  <s_m_entry_name>  (1) 
Mal-bata-Ala-(D)Asp.1

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

>  <s_m_Source_File>  (1) 
ligprep_5-out.maegz

>  <i_m_Source_File_Index>  (1) 
1

>  <s_m_source_file>  (1) 
ligprep_5.maegz

>  <i_m_source_file_index>  (1) 
9

>  <i_lp_mmshare_version>  (1) 
61128

>  <i_f3d_flags>  (1) 
0

>  <r_lp_tautomer_probability>  (1) 
1

>  <s_lp_Force_Field>  (1) 
S-OPLS

>  <r_lp_Energy>  (1) 
0.112635

>  <b_lp_Chiralities_Consistent>  (1) 
1

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

>  <s_m_job_name>  (1) 
ligprep_5

$$$$
