1F6-His-Val-AF
                    3D
 Schrodinger Suite 2023-1.
178181  0  0  1  0            999 V2000
   -1.4456   -3.9956   13.8304 C   0  0  0  0  0  0
   -1.7074   -4.4284   15.0711 C   0  0  0  0  0  0
   -2.8888   -5.2268   15.0196 C   0  0  0  0  0  0
   -3.2630   -5.2222   13.7425 N   0  0  0  0  0  0
   -2.4546   -4.5092   12.9621 C   0  0  0  0  0  0
   -2.5722   -4.3418   11.7487 O   0  0  0  0  0  0
   -3.4577   -5.8053   15.9447 O   0  0  0  0  0  0
   -4.4414   -5.9280   13.2477 C   0  0  0  0  0  0
   -4.0570   -7.3203   12.8432 C   0  0  0  0  0  0
   -3.0202   -7.2584   11.7610 C   0  0  0  0  0  0
   -2.2012   -8.3099   11.7982 N   0  0  0  0  0  0
   -1.0878   -8.5501   10.8848 C   0  0  0  0  0  0
   -1.3969   -7.9420    9.5489 C   0  0  0  0  0  0
   -0.2836   -8.1822    8.6355 N   0  0  0  0  0  0
   -2.9159   -6.3611   10.9299 O   0  0  0  0  0  0
   -0.3824   -8.3159    7.3126 C   0  0  0  0  0  0
    0.9542   -8.5537    6.6746 C   0  0  2  0  0  0
   -1.4517   -8.2481    6.7136 O   0  0  0  0  0  0
    1.5579   -7.2731    6.3177 N   0  0  0  0  0  0
    1.9010   -6.8953    5.0859 C   0  0  0  0  0  0
    2.4961   -5.5186    5.0701 C   0  0  2  0  0  0
    1.6855   -4.6476    4.2240 N   0  0  0  0  0  0
    0.7774   -9.3848    5.4385 C   0  0  0  0  0  0
    1.7383   -7.6085    4.1002 O   0  0  0  0  0  0
    3.8930   -5.5838    4.5275 C   0  0  0  0  0  0
    4.7258   -6.4786    5.3968 C   0  0  0  0  0  0
    4.4881   -4.2070    4.5117 C   0  0  0  0  0  0
    1.3324    7.4882   -4.9473 C   0  0  0  0  0  0
    0.5580    6.3159   -5.3442 N   0  0  0  0  0  0
    0.0692    5.6283   -4.1526 C   0  0  2  0  0  0
    0.5299    6.3617   -2.9279 C   0  0  0  0  0  0
   -0.4956    6.7837   -2.1876 N   0  0  0  0  0  0
   -0.3882    7.5274   -0.9358 C   0  0  2  0  0  0
   -1.0394    6.7466    0.1671 C   0  0  0  0  0  0
   -0.4677    6.9850    1.3478 N   0  0  0  0  0  0
   -0.8643    6.3850    2.6184 C   0  0  2  0  0  0
   -0.0975    5.1136    2.8318 C   0  0  1  0  0  0
   -0.3927    4.1580    1.7138 C   0  0  0  0  0  0
    0.3741    2.8866    1.9272 C   0  0  0  0  0  0
   -0.5749    6.7350   -6.1643 C   0  0  0  0  0  0
    0.6057    4.2277   -4.1281 C   0  0  0  0  0  0
    2.1049    4.2669   -4.1032 C   0  0  0  0  0  0
    0.1450    3.4944   -5.3529 C   0  0  0  0  0  0
    1.7012    6.5627   -2.6208 O   0  0  0  0  0  0
   -1.0737    8.8536   -1.0817 C   0  0  0  0  0  0
   -2.5207    8.6350   -1.4109 C   0  0  0  0  0  0
   -0.4225    9.6344   -2.1845 C   0  0  0  0  0  0
   -1.9843    5.9756    0.0273 O   0  0  0  0  0  0
    0.6558    7.8883    1.5788 C   0  0  0  0  0  0
   -2.3336    6.0844    2.5924 C   0  0  1  0  0  0
   -2.7410    5.4680    3.8978 C   0  0  0  0  0  0
   -3.1004    7.3559    2.3790 C   0  0  0  0  0  0
   -2.8052    8.3114    3.4969 C   0  0  0  0  0  0
    1.2543    5.3901    2.8557 O   0  0  0  0  0  0
    1.6535    6.2635    3.8468 C   0  0  0  0  0  0
    1.1278    2.6760    2.8820 O   0  0  0  0  0  0
    0.1455    1.9900    0.9495 N   0  0  0  0  0  0
    0.7617    0.6599    0.8956 C   0  0  1  0  0  0
    0.3985    0.1809   -0.5087 C   0  0  0  0  0  0
   -0.9096    0.8945   -0.8225 C   0  0  0  0  0  0
   -0.7565    2.2677   -0.1708 C   0  0  0  0  0  0
    2.2441    0.6982    1.1212 C   0  0  1  0  0  0
    2.7967   -0.6945    1.0509 C   0  0  2  0  0  0
    2.8373    1.4781    0.1494 O   0  0  0  0  0  0
    2.4092    2.7894    0.1122 C   0  0  0  0  0  0
    2.1520   -1.5422    2.1072 C   0  0  0  0  0  0
    4.2792   -0.6562    1.2765 C   0  0  0  0  0  0
    2.2016   -1.3291    3.3150 O   0  0  0  0  0  0
    1.5012   -2.5802    1.5810 N   0  0  0  0  0  0
    0.7695   -3.5932    2.3360 C   0  0  2  0  0  0
    1.7354   -4.5969    2.8925 C   0  0  0  0  0  0
    2.4907   -5.2986    2.2263 O   0  0  0  0  0  0
   -0.2045   -4.2858    1.4296 C   0  0  0  0  0  0
   -0.9564   -5.3265    2.2053 C   0  0  0  0  0  0
   -0.4646   -6.6240    2.2850 C   0  0  0  0  0  0
   -1.1612   -7.5882    3.0037 C   0  0  0  0  0  0
   -2.3496   -7.2550    3.6428 C   0  0  0  0  0  0
   -2.8413   -5.9576    3.5631 C   0  0  0  0  0  0
   -2.1447   -4.9933    2.8444 C   0  0  0  0  0  0
    0.1572  -10.7005    5.8051 C   0  0  0  0  0  0
    0.9094  -11.7960    6.1384 N   0  0  0  0  0  0
    0.0174  -12.7985    6.4085 C   0  0  0  0  0  0
   -1.2277  -12.4049    6.2672 N   0  0  0  0  0  0
   -1.1570  -11.1332    5.9012 C   0  0  0  0  0  0
   -0.6255   -3.3688   13.5112 H   0  0  0  0  0  0
   -1.1446   -4.2269   15.9711 H   0  0  0  0  0  0
   -5.1948   -5.9730   14.0341 H   0  0  0  0  0  0
   -4.8470   -5.3981   12.3858 H   0  0  0  0  0  0
   -3.6514   -7.8502   13.7051 H   0  0  0  0  0  0
   -4.9368   -7.8473   12.4737 H   0  0  0  0  0  0
   -2.2509   -9.0688   12.4628 H   0  0  0  0  0  0
   -0.1822   -8.0980   11.2891 H   0  0  0  0  0  0
   -0.9377   -9.6236   10.7694 H   0  0  0  0  0  0
   -2.3026   -8.3941    9.1446 H   0  0  0  0  0  0
   -1.5471   -6.8686    9.6643 H   0  0  0  0  0  0
    0.5736   -8.2308    9.1675 H   0  0  0  0  0  0
    1.6032   -9.0785    7.3756 H   0  0  0  0  0  0
    1.6736   -6.7196    7.1546 H   0  0  0  0  0  0
    2.5187   -5.1208    6.0847 H   0  0  0  0  0  0
    1.0809   -4.0898    4.8099 H   0  0  0  0  0  0
    0.1284   -8.8600    4.7375 H   0  0  0  0  0  0
    1.7487   -9.5576    4.9749 H   0  0  0  0  0  0
    3.8704   -5.9815    3.5129 H   0  0  0  0  0  0
    4.7484   -6.0809    6.4114 H   0  0  0  0  0  0
    4.2934   -7.4791    5.4083 H   0  0  0  0  0  0
    5.7409   -6.5260    5.0025 H   0  0  0  0  0  0
    4.5107   -3.8093    5.5263 H   0  0  0  0  0  0
    5.5032   -4.2545    4.1174 H   0  0  0  0  0  0
    3.8829   -3.5568    3.8800 H   0  0  0  0  0  0
    1.6970    8.0012   -5.8372 H   0  0  0  0  0  0
    0.6995    8.1640   -4.3721 H   0  0  0  0  0  0
    2.1787    7.1747   -4.3362 H   0  0  0  0  0  0
   -1.0203    5.5998   -4.1708 H   0  0  0  0  0  0
   -1.4721    6.6406   -2.4023 H   0  0  0  0  0  0
    0.6633    7.6862   -0.6966 H   0  0  0  0  0  0
   -0.6498    7.0794    3.4307 H   0  0  0  0  0  0
   -0.3935    4.6656    3.7803 H   0  0  0  0  0  0
   -1.4604    3.9396    1.6950 H   0  0  0  0  0  0
   -0.0967    4.6060    0.7653 H   0  0  0  0  0  0
   -1.1527    5.8594   -6.4603 H   0  0  0  0  0  0
   -1.2084    7.4112   -5.5903 H   0  0  0  0  0  0
   -0.2095    7.2471   -7.0543 H   0  0  0  0  0  0
    0.2408    3.7144   -3.2385 H   0  0  0  0  0  0
    2.4698    4.7802   -4.9928 H   0  0  0  0  0  0
    2.4397    4.7998   -3.2132 H   0  0  0  0  0  0
    2.4947    3.2491   -4.0854 H   0  0  0  0  0  0
    0.5099    4.0077   -6.2425 H   0  0  0  0  0  0
    0.5348    2.4766   -5.3351 H   0  0  0  0  0  0
   -0.9445    3.4659   -5.3710 H   0  0  0  0  0  0
   -0.9935    9.4088   -0.1471 H   0  0  0  0  0  0
   -2.6009    8.0798   -2.3454 H   0  0  0  0  0  0
   -2.9939    8.0676   -0.6094 H   0  0  0  0  0  0
   -3.0188    9.5987   -1.5169 H   0  0  0  0  0  0
   -0.5026    9.0792   -3.1191 H   0  0  0  0  0  0
   -0.9206   10.5981   -2.2906 H   0  0  0  0  0  0
    0.6290    9.7932   -1.9454 H   0  0  0  0  0  0
    0.9583    8.3409    0.6344 H   0  0  0  0  0  0
    0.3560    8.6700    2.2767 H   0  0  0  0  0  0
    1.4919    7.3284    1.9977 H   0  0  0  0  0  0
   -2.5481    5.3901    1.7800 H   0  0  0  0  0  0
   -2.5265    6.1623    4.7101 H   0  0  0  0  0  0
   -3.8087    5.2495    3.8789 H   0  0  0  0  0  0
   -2.1838    4.5441    4.0528 H   0  0  0  0  0  0
   -2.8043    7.8038    1.4304 H   0  0  0  0  0  0
   -4.1681    7.1374    2.3601 H   0  0  0  0  0  0
   -3.3624    9.2353    3.3418 H   0  0  0  0  0  0
   -3.1012    7.8635    4.4455 H   0  0  0  0  0  0
   -1.7375    8.5298    3.5158 H   0  0  0  0  0  0
    2.7307    6.4174    3.7832 H   0  0  0  0  0  0
    1.1420    7.2174    3.7182 H   0  0  0  0  0  0
    1.4031    5.8455    4.8218 H   0  0  0  0  0  0
    0.3145    0.0149    1.6550 H   0  0  0  0  0  0
    1.1719    0.4897   -1.2151 H   0  0  0  0  0  0
    0.3149   -0.9053   -0.5714 H   0  0  0  0  0  0
   -1.1109    0.9597   -1.8930 H   0  0  0  0  0  0
   -1.7456    0.3605   -0.3658 H   0  0  0  0  0  0
   -1.7160    2.6835    0.1457 H   0  0  0  0  0  0
   -0.2861    2.9718   -0.8609 H   0  0  0  0  0  0
    2.4513    1.1221    2.1038 H   0  0  0  0  0  0
    2.5896   -1.1184    0.0683 H   0  0  0  0  0  0
    2.9325    3.3201   -0.6831 H   0  0  0  0  0  0
    1.3363    2.8161   -0.0780 H   0  0  0  0  0  0
    2.6207    3.2679    1.0685 H   0  0  0  0  0  0
    4.6807   -1.6683    1.2254 H   0  0  0  0  0  0
    4.7477   -0.0402    0.5089 H   0  0  0  0  0  0
    4.4863   -0.2323    2.2590 H   0  0  0  0  0  0
    1.4350   -2.7927    0.5959 H   0  0  0  0  0  0
    0.2290   -3.1168    3.1540 H   0  0  0  0  0  0
   -0.9064   -3.5565    1.0253 H   0  0  0  0  0  0
    0.3359   -4.7622    0.6117 H   0  0  0  0  0  0
    0.4606   -6.8834    1.7875 H   0  0  0  0  0  0
   -0.7783   -8.5984    3.0658 H   0  0  0  0  0  0
   -2.8919   -8.0058    4.2023 H   0  0  0  0  0  0
   -3.7665   -5.6981    4.0606 H   0  0  0  0  0  0
   -2.5276   -3.9832    2.7823 H   0  0  0  0  0  0
    1.9243  -11.8615    6.1797 H   0  0  0  0  0  0
    0.3686  -13.7828    6.7008 H   0  0  0  0  0  0
   -2.0402  -10.5349    5.7087 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1 85  1  0  0  0
  2  3  1  0  0  0
  2 86  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 87  1  0  0  0
  8 88  1  0  0  0
  9 10  1  0  0  0
  9 89  1  0  0  0
  9 90  1  0  0  0
 10 11  1  0  0  0
 10 15  2  0  0  0
 11 12  1  0  0  0
 11 91  1  0  0  0
 12 13  1  0  0  0
 12 92  1  0  0  0
 12 93  1  0  0  0
 13 14  1  0  0  0
 13 94  1  0  0  0
 13 95  1  0  0  0
 14 16  1  0  0  0
 14 96  1  0  0  0
 16 17  1  0  0  0
 16 18  2  0  0  0
 17 19  1  0  0  0
 17 23  1  0  0  0
 17 97  1  0  0  0
 19 20  1  0  0  0
 19 98  1  0  0  0
 20 21  1  0  0  0
 20 24  2  0  0  0
 21 22  1  0  0  0
 21 25  1  0  0  0
 21 99  1  0  0  0
 22 71  1  0  0  0
 22100  1  0  0  0
 23 80  1  0  0  0
 23101  1  0  0  0
 23102  1  0  0  0
 25 26  1  0  0  0
 25 27  1  0  0  0
 25103  1  0  0  0
 26104  1  0  0  0
 26105  1  0  0  0
 26106  1  0  0  0
 27107  1  0  0  0
 27108  1  0  0  0
 27109  1  0  0  0
 28 29  1  0  0  0
 28110  1  0  0  0
 28111  1  0  0  0
 28112  1  0  0  0
 29 30  1  0  0  0
 29 40  1  0  0  0
 30 31  1  0  0  0
 30 41  1  0  0  0
 30113  1  0  0  0
 31 32  1  0  0  0
 31 44  2  0  0  0
 32 33  1  0  0  0
 32114  1  0  0  0
 33 34  1  0  0  0
 33 45  1  0  0  0
 33115  1  0  0  0
 34 35  1  0  0  0
 34 48  2  0  0  0
 35 36  1  0  0  0
 35 49  1  0  0  0
 36 37  1  0  0  0
 36 50  1  0  0  0
 36116  1  0  0  0
 37 38  1  0  0  0
 37 54  1  0  0  0
 37117  1  0  0  0
 38 39  1  0  0  0
 38118  1  0  0  0
 38119  1  0  0  0
 39 56  2  0  0  0
 39 57  1  0  0  0
 40120  1  0  0  0
 40121  1  0  0  0
 40122  1  0  0  0
 41 42  1  0  0  0
 41 43  1  0  0  0
 41123  1  0  0  0
 42124  1  0  0  0
 42125  1  0  0  0
 42126  1  0  0  0
 43127  1  0  0  0
 43128  1  0  0  0
 43129  1  0  0  0
 45 46  1  0  0  0
 45 47  1  0  0  0
 45130  1  0  0  0
 46131  1  0  0  0
 46132  1  0  0  0
 46133  1  0  0  0
 47134  1  0  0  0
 47135  1  0  0  0
 47136  1  0  0  0
 49137  1  0  0  0
 49138  1  0  0  0
 49139  1  0  0  0
 50 51  1  0  0  0
 50 52  1  0  0  0
 50140  1  0  0  0
 51141  1  0  0  0
 51142  1  0  0  0
 51143  1  0  0  0
 52 53  1  0  0  0
 52144  1  0  0  0
 52145  1  0  0  0
 53146  1  0  0  0
 53147  1  0  0  0
 53148  1  0  0  0
 54 55  1  0  0  0
 55149  1  0  0  0
 55150  1  0  0  0
 55151  1  0  0  0
 57 58  1  0  0  0
 57 61  1  0  0  0
 58 59  1  0  0  0
 58 62  1  0  0  0
 58152  1  0  0  0
 59 60  1  0  0  0
 59153  1  0  0  0
 59154  1  0  0  0
 60 61  1  0  0  0
 60155  1  0  0  0
 60156  1  0  0  0
 61157  1  0  0  0
 61158  1  0  0  0
 62 63  1  0  0  0
 62 64  1  0  0  0
 62159  1  0  0  0
 63 66  1  0  0  0
 63 67  1  0  0  0
 63160  1  0  0  0
 64 65  1  0  0  0
 65161  1  0  0  0
 65162  1  0  0  0
 65163  1  0  0  0
 66 68  2  0  0  0
 66 69  1  0  0  0
 67164  1  0  0  0
 67165  1  0  0  0
 67166  1  0  0  0
 69 70  1  0  0  0
 69167  1  0  0  0
 70 71  1  0  0  0
 70 73  1  0  0  0
 70168  1  0  0  0
 71 72  2  0  0  0
 73 74  1  0  0  0
 73169  1  0  0  0
 73170  1  0  0  0
 74 75  2  0  0  0
 74 79  1  0  0  0
 75 76  1  0  0  0
 75171  1  0  0  0
 76 77  2  0  0  0
 76172  1  0  0  0
 77 78  1  0  0  0
 77173  1  0  0  0
 78 79  2  0  0  0
 78174  1  0  0  0
 79175  1  0  0  0
 80 81  1  0  0  0
 80 84  2  0  0  0
 81 82  1  0  0  0
 81176  1  0  0  0
 82 83  2  0  0  0
 82177  1  0  0  0
 83 84  1  0  0  0
 84178  1  0  0  0
M  END
> <s_m_entry_id>
48

> <s_m_entry_name>
1F6-His-Val-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>
15

> <i_lp_mmshare_version>
61128

> <i_f3d_flags>
0

> <r_lp_tautomer_probability>
0.499999999999999

> <s_lp_Force_Field>
S-OPLS

> <r_lp_Energy>
52.128895

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
1F6-His-Val-AF.sdf-1

> <s_m_job_name>
ligprep_4

$$$$
