1F6-Asp-Val-AF
     RDKit          2D

 82 84  0  0  1  0  0  0  0  0999 V2000
  -16.4147   -6.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9527   -7.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1819   -5.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1676   -4.6607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5475   -5.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8343   -4.4780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6878   -5.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8322   -3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3983   -2.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0629   -1.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6291   -0.8556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2937    0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8598    1.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5245    2.5090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1614   -0.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0906    2.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7552    4.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9922    1.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3214    4.8521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2229    3.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7891    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906    3.2497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8537    5.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    2.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4537    5.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5521    6.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0198    6.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3257   -3.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0389   -2.2682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0630   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7762    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4652   -0.7267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1784    0.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675   -0.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8434   -2.1847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5325   -2.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2457   -2.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2698   -0.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9829    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7280   -2.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3739   -0.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6607   -0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3980    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8003    1.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2025    1.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5134    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9157    2.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5807    0.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1302   -2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5084   -4.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952   -5.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975   -5.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1734   -6.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9347   -2.8720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9107   -4.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720   -0.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0070    1.6274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8078    2.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2942    3.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7940    3.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    2.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755    3.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386    0.6259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6047    0.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6109    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568    3.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937    1.2068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    0.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0260    1.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4599    1.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2630   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645   -1.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4999   -3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015   -4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324   -3.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3678   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2693   -1.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2875    4.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6229    3.5305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3860    6.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  5  1  0
  2  3  1  0
  3  4  1  0
  3  7  2  0
  4  5  1  0
  4  8  1  0
  5  6  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 15  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 17 19  1  0
 17 23  1  0
 19 20  1  0
 20 21  1  0
 20 24  2  0
 21 22  1  0
 21 25  1  0
 22 71  1  0
 23 80  1  0
 25 26  1  0
 25 27  1  0
 28 29  1  0
 29 40  1  0
 29 30  1  0
 30 31  1  0
 30 41  1  0
 31 32  1  0
 31 44  2  0
 32 33  1  0
 33 34  1  0
 33 45  1  0
 34 35  1  0
 34 48  2  0
 35 36  1  0
 35 49  1  0
 36 37  1  0
 36 50  1  0
 37 38  1  0
 37 54  1  0
 38 39  1  0
 39 56  2  0
 39 57  1  0
 41 42  1  0
 41 43  1  0
 45 46  1  0
 45 47  1  0
 50 51  1  0
 50 52  1  0
 52 53  1  0
 54 55  1  0
 57 58  1  0
 57 61  1  0
 58 59  1  0
 58 62  1  0
 59 60  1  0
 60 61  1  0
 62 63  1  0
 62 64  1  0
 63 66  1  0
 63 67  1  0
 64 65  1  0
 66 68  2  0
 66 69  1  0
 69 70  1  0
 70 71  1  0
 70 73  1  0
 71 72  2  0
 73 74  1  0
 74 75  2  0
 74 79  1  0
 75 76  1  0
 76 77  2  0
 77 78  1  0
 78 79  2  0
 80 81  2  0
 80 82  1  0
M  END
>  <s_m_entry_id>  (1) 
46

>  <s_m_entry_name>  (1) 
1F6-Asp-Val-AF.1

>  <s_m_Source_Path>  (1) 
D:\Schrodinger_2023-1\projects\ligprep_4

>  <s_m_Source_File>  (1) 
ligprep_4-out.maegz

>  <i_m_Source_File_Index>  (1) 
1

>  <s_m_source_file>  (1) 
ligprep_4.maegz

>  <i_m_source_file_index>  (1) 
13

>  <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) 
56.871753

>  <b_lp_Chiralities_Consistent>  (1) 
1

>  <s_lp_Variant>  (1) 
1F6-Asp-Val-AF.sdf-1

>  <s_m_job_name>  (1) 
ligprep_4

$$$$
