1F6-beta-Ala-(D)Asp-AF
                    3D
 Schrodinger Suite 2023-1.
168170  0  0  1  0            999 V2000
   10.9841    0.4431    7.5087 C   0  0  0  0  0  0
   10.2555    0.8073    6.2893 N   0  0  0  0  0  0
   10.5954    0.4446    5.0424 C   0  0  0  0  0  0
    9.7296    1.0466    3.9182 C   0  0  2  0  0  0
    8.6087    0.1726    3.5691 N   0  0  0  0  0  0
   11.5294   -0.3075    4.7633 O   0  0  0  0  0  0
   -2.0976   -3.6086   -6.5822 C   0  0  0  0  0  0
   -1.5796   -2.2769   -6.8923 N   0  0  0  0  0  0
   -1.1299   -1.5100   -5.6831 C   0  0  2  0  0  0
   -2.3158   -0.8326   -4.9337 C   0  0  0  0  0  0
   -2.6640   -1.3876   -3.7606 N   0  0  0  0  0  0
   -3.7056   -0.8908   -2.8581 C   0  0  2  0  0  0
   -3.0017   -0.4803   -1.5311 C   0  0  0  0  0  0
   -2.6752    0.8262   -1.2926 N   0  0  0  0  0  0
   -2.0605    1.3118   -0.0207 C   0  0  2  0  0  0
   -0.4961    1.1739    0.0094 C   0  0  1  0  0  0
    0.0278   -0.2842    0.0779 C   0  0  0  0  0  0
    1.5591   -0.4228    0.2250 C   0  0  0  0  0  0
   -2.4648   -1.6261   -7.8624 C   0  0  0  0  0  0
    0.0437   -0.4841   -5.8673 C   0  0  0  0  0  0
   -0.1064    0.5468   -7.0040 C   0  0  0  0  0  0
    1.3907   -1.2143   -6.0188 C   0  0  0  0  0  0
   -2.8817    0.1466   -5.4221 O   0  0  0  0  0  0
   -4.7969   -1.9882   -2.5984 C   0  0  0  0  0  0
   -5.4981   -2.4177   -3.9027 C   0  0  0  0  0  0
   -5.8685   -1.5822   -1.5603 C   0  0  0  0  0  0
   -2.7652   -1.3850   -0.7261 O   0  0  0  0  0  0
   -2.8576    1.9027   -2.2789 C   0  0  0  0  0  0
   -2.8049    0.8848    1.2994 C   0  0  1  0  0  0
   -2.1619    1.4882    2.5708 C   0  0  0  0  0  0
   -4.3237    1.2182    1.2434 C   0  0  0  0  0  0
   -5.1772    0.5390    2.3275 C   0  0  0  0  0  0
    0.0963    1.7723   -1.1467 O   0  0  0  0  0  0
    0.3089    3.1761   -1.0631 C   0  0  0  0  0  0
    2.1905    0.4867    0.7673 O   0  0  0  0  0  0
    2.1653   -1.5415   -0.2497 N   0  0  0  0  0  0
    3.6228   -1.7757   -0.1853 C   0  0  1  0  0  0
    3.7742   -3.2367   -0.6403 C   0  0  0  0  0  0
    2.4071   -3.8527   -0.4196 C   0  0  0  0  0  0
    1.4383   -2.7199   -0.7409 C   0  0  0  0  0  0
    4.5234   -0.7612   -0.9701 C   0  0  1  0  0  0
    6.0489   -0.9702   -0.7172 C   0  0  2  0  0  0
    4.2970   -0.8610   -2.3806 O   0  0  0  0  0  0
    3.2755   -0.0298   -2.9187 C   0  0  0  0  0  0
    6.4134   -0.7299    0.7633 C   0  0  0  0  0  0
    6.9162   -0.0532   -1.6130 C   0  0  0  0  0  0
    6.2670    0.3883    1.2611 O   0  0  0  0  0  0
    6.8736   -1.7844    1.4597 N   0  0  0  0  0  0
    7.2734   -1.7339    2.8665 C   0  0  2  0  0  0
    8.6435   -1.0593    3.0347 C   0  0  0  0  0  0
    9.6630   -1.6564    2.6892 O   0  0  0  0  0  0
    7.2616   -3.1506    3.4750 C   0  0  0  0  0  0
    5.8811   -3.7742    3.5727 C   0  0  0  0  0  0
    4.9874   -3.3625    4.5842 C   0  0  0  0  0  0
    3.6932   -3.8651    4.6139 C   0  0  0  0  0  0
    3.2665   -4.7575    3.6386 C   0  0  0  0  0  0
    4.1259   -5.1467    2.6188 C   0  0  0  0  0  0
    5.4213   -4.6504    2.5670 C   0  0  0  0  0  0
   11.2650    1.6443    8.4476 C   0  0  0  0  0  0
   11.8684    2.8867    7.7631 C   0  0  0  0  0  0
   11.5898    4.0723    8.3347 N   0  0  0  0  0  0
   12.5554    2.7731    6.7462 O   0  0  0  0  0  0
   11.9438    5.3861    7.7880 C   0  0  0  0  0  0
   10.9767    5.8911    6.6904 C   0  0  0  0  0  0
    9.5608    5.8140    7.0574 N   0  0  0  0  0  0
    8.7248    4.8154    6.7235 C   0  0  0  0  0  0
    7.3009    4.9299    7.2923 C   0  0  0  0  0  0
    9.0601    3.8578    6.0270 O   0  0  0  0  0  0
    6.2605    3.8699    6.8322 C   0  0  0  0  0  0
    6.5927    2.4394    7.0160 N   0  0  0  0  0  0
    6.5355    1.5372    6.0155 C   0  0  0  0  0  0
    6.9050    0.2910    6.6086 C   0  0  0  0  0  0
    7.1407    0.4943    7.9068 C   0  0  0  0  0  0
    6.9241    1.8770    8.1965 C   0  0  0  0  0  0
    7.0244    2.4301    9.2917 O   0  0  0  0  0  0
    6.2346    1.7388    4.8388 O   0  0  0  0  0  0
   10.5125    1.4866    2.6522 C   0  0  0  0  0  0
   11.6768    2.4384    2.9539 C   0  0  0  0  0  0
   11.5437    3.5180    3.5273 O   0  0  0  0  0  0
   12.8739    1.9533    2.5155 O   0  0  0  0  0  0
   11.9459    0.0007    7.2385 H   0  0  0  0  0  0
   10.4145   -0.3235    8.0348 H   0  0  0  0  0  0
    9.4537    1.4089    6.4119 H   0  0  0  0  0  0
    9.2287    1.9359    4.2993 H   0  0  0  0  0  0
    7.7009    0.5605    3.7844 H   0  0  0  0  0  0
   -1.3944   -4.1646   -5.9611 H   0  0  0  0  0  0
   -3.0475   -3.5503   -6.0503 H   0  0  0  0  0  0
   -2.2522   -4.1891   -7.4928 H   0  0  0  0  0  0
   -0.7216   -2.2390   -4.9773 H   0  0  0  0  0  0
   -2.1561   -2.1961   -3.4320 H   0  0  0  0  0  0
   -4.2472   -0.0521   -3.2924 H   0  0  0  0  0  0
   -2.2256    2.3902   -0.0286 H   0  0  0  0  0  0
   -0.1158    1.6962    0.8887 H   0  0  0  0  0  0
   -0.2853   -0.7971   -0.8296 H   0  0  0  0  0  0
   -0.4340   -0.8048    0.9169 H   0  0  0  0  0  0
   -2.1316   -0.6267   -8.1287 H   0  0  0  0  0  0
   -2.5077   -2.2064   -8.7848 H   0  0  0  0  0  0
   -3.4816   -1.5420   -7.4757 H   0  0  0  0  0  0
    0.1260    0.1058   -4.9512 H   0  0  0  0  0  0
   -0.0635    0.0713   -7.9837 H   0  0  0  0  0  0
   -1.0369    1.1082   -6.9344 H   0  0  0  0  0  0
    0.7049    1.2746   -6.9709 H   0  0  0  0  0  0
    1.3867   -1.8727   -6.8881 H   0  0  0  0  0  0
    2.2130   -0.5093   -6.1418 H   0  0  0  0  0  0
    1.6114   -1.8231   -5.1414 H   0  0  0  0  0  0
   -4.3077   -2.8859   -2.2149 H   0  0  0  0  0  0
   -5.9872   -1.5708   -4.3849 H   0  0  0  0  0  0
   -4.7936   -2.8431   -4.6165 H   0  0  0  0  0  0
   -6.2578   -3.1764   -3.7130 H   0  0  0  0  0  0
   -6.3622   -0.6538   -1.8485 H   0  0  0  0  0  0
   -6.6371   -2.3500   -1.4675 H   0  0  0  0  0  0
   -5.4477   -1.4390   -0.5653 H   0  0  0  0  0  0
   -3.0849    1.5725   -3.2879 H   0  0  0  0  0  0
   -3.6556    2.5707   -1.9540 H   0  0  0  0  0  0
   -1.9508    2.4974   -2.3691 H   0  0  0  0  0  0
   -2.7157   -0.1944    1.4140 H   0  0  0  0  0  0
   -2.1109    2.5761    2.5141 H   0  0  0  0  0  0
   -2.7159    1.2316    3.4725 H   0  0  0  0  0  0
   -1.1521    1.1115    2.7316 H   0  0  0  0  0  0
   -4.7436    0.9212    0.2831 H   0  0  0  0  0  0
   -4.4643    2.2988    1.2951 H   0  0  0  0  0  0
   -6.2358    0.7455    2.1679 H   0  0  0  0  0  0
   -5.0490   -0.5439    2.3090 H   0  0  0  0  0  0
   -4.9293    0.8917    3.3280 H   0  0  0  0  0  0
    0.7217    3.5360   -2.0052 H   0  0  0  0  0  0
   -0.6163    3.7210   -0.8748 H   0  0  0  0  0  0
    1.0220    3.4182   -0.2739 H   0  0  0  0  0  0
    3.8798   -1.6951    0.8722 H   0  0  0  0  0  0
    4.5810   -3.7547   -0.1219 H   0  0  0  0  0  0
    4.0057   -3.2873   -1.7054 H   0  0  0  0  0  0
    2.2914   -4.1491    0.6239 H   0  0  0  0  0  0
    2.2267   -4.7402   -1.0267 H   0  0  0  0  0  0
    1.3172   -2.6499   -1.8227 H   0  0  0  0  0  0
    0.4885   -2.8941   -0.2329 H   0  0  0  0  0  0
    4.2955    0.2574   -0.6486 H   0  0  0  0  0  0
    6.3030   -1.9996   -0.9783 H   0  0  0  0  0  0
    3.3141   -0.0825   -4.0056 H   0  0  0  0  0  0
    2.2797   -0.3479   -2.6145 H   0  0  0  0  0  0
    3.4126    1.0153   -2.6380 H   0  0  0  0  0  0
    7.9806   -0.1816   -1.4087 H   0  0  0  0  0  0
    6.7722   -0.2770   -2.6703 H   0  0  0  0  0  0
    6.6793    1.0016   -1.4646 H   0  0  0  0  0  0
    6.9717   -2.6797    1.0035 H   0  0  0  0  0  0
    6.5353   -1.1413    3.4125 H   0  0  0  0  0  0
    7.6796   -3.1146    4.4825 H   0  0  0  0  0  0
    7.9120   -3.8159    2.9047 H   0  0  0  0  0  0
    5.3060   -2.6546    5.3356 H   0  0  0  0  0  0
    3.0135   -3.5549    5.3938 H   0  0  0  0  0  0
    2.2577   -5.1422    3.6664 H   0  0  0  0  0  0
    3.7810   -5.8281    1.8550 H   0  0  0  0  0  0
    6.0745   -4.9411    1.7574 H   0  0  0  0  0  0
   11.9428    1.3493    9.2489 H   0  0  0  0  0  0
   10.3130    1.9701    8.8722 H   0  0  0  0  0  0
   11.0531    4.0778    9.1898 H   0  0  0  0  0  0
   12.9274    5.2665    7.3284 H   0  0  0  0  0  0
   12.0779    6.1272    8.5766 H   0  0  0  0  0  0
   11.2107    5.4834    5.7046 H   0  0  0  0  0  0
   11.1259    6.9683    6.6107 H   0  0  0  0  0  0
    9.1995    6.5822    7.6039 H   0  0  0  0  0  0
    6.8939    5.9385    7.2124 H   0  0  0  0  0  0
    7.4618    4.7755    8.3590 H   0  0  0  0  0  0
    6.1256    4.0380    5.7621 H   0  0  0  0  0  0
    5.2798    4.0908    7.2552 H   0  0  0  0  0  0
    6.9763   -0.6505    6.0836 H   0  0  0  0  0  0
    7.4371   -0.2534    8.6276 H   0  0  0  0  0  0
    9.8391    2.0327    1.9909 H   0  0  0  0  0  0
   10.8733    0.6258    2.0880 H   0  0  0  0  0  0
   13.6050    2.5427    2.7131 H   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
47

> <s_m_entry_name>
1F6-beta-Ala-(D)Asp-AF.1

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

> <s_m_Source_File>
ligprep_4-out.maegz

> <i_m_Source_File_Index>
1

> <s_m_source_file>
ligprep_4.maegz

> <i_m_source_file_index>
14

> <i_lp_mmshare_version>
61128

> <i_f3d_flags>
0

> <r_lp_tautomer_probability>
1

> <s_lp_Force_Field>
S-OPLS

> <r_lp_Energy>
52.252298

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
1F6-ß-Ala-(D)Asp-AF.sdf-1

> <s_m_job_name>
ligprep_4

$$$$
