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- .gitattributes +50 -0
- 5j64_ligand_33_532_dock/MCpath1.xyz +140 -0
- 5j64_ligand_33_532_dock/MCpath10.xyz +277 -0
- 5j64_ligand_33_532_dock/MCpath11.xyz +145 -0
- 5j64_ligand_33_532_dock/MCpath12.xyz +84 -0
- 5j64_ligand_33_532_dock/MCpath13.xyz +452 -0
- 5j64_ligand_33_532_dock/MCpath14.xyz +1006 -0
- 5j64_ligand_33_532_dock/MCpath15.xyz +170 -0
- 5j64_ligand_33_532_dock/MCpath16.xyz +145 -0
- 5j64_ligand_33_532_dock/MCpath17.xyz +1206 -0
- 5j64_ligand_33_532_dock/MCpath18.xyz +179 -0
- 5j64_ligand_33_532_dock/MCpath19.xyz +223 -0
- 5j64_ligand_33_532_dock/MCpath2.xyz +188 -0
- 5j64_ligand_33_532_dock/MCpath20.xyz +213 -0
- 5j64_ligand_33_532_dock/MCpath21.xyz +341 -0
- 5j64_ligand_33_532_dock/MCpath22.xyz +141 -0
- 5j64_ligand_33_532_dock/MCpath23.xyz +161 -0
- 5j64_ligand_33_532_dock/MCpath24.xyz +410 -0
- 5j64_ligand_33_532_dock/MCpath25.xyz +124 -0
- 5j64_ligand_33_532_dock/MCpath26.xyz +358 -0
- 5j64_ligand_33_532_dock/MCpath27.xyz +497 -0
- 5j64_ligand_33_532_dock/MCpath28.xyz +150 -0
- 5j64_ligand_33_532_dock/MCpath29.xyz +344 -0
- 5j64_ligand_33_532_dock/MCpath3.xyz +194 -0
- 5j64_ligand_33_532_dock/MCpath30.xyz +269 -0
- 5j64_ligand_33_532_dock/MCpath31.xyz +184 -0
- 5j64_ligand_33_532_dock/MCpath32.xyz +173 -0
- 5j64_ligand_33_532_dock/MCpath33.xyz +168 -0
- 5j64_ligand_33_532_dock/MCpath34.xyz +171 -0
- 5j64_ligand_33_532_dock/MCpath35.xyz +207 -0
- 5j64_ligand_33_532_dock/MCpath36.xyz +190 -0
- 5j64_ligand_33_532_dock/MCpath37.xyz +154 -0
- 5j64_ligand_33_532_dock/MCpath38.xyz +183 -0
- 5j64_ligand_33_532_dock/MCpath39.xyz +115 -0
- 5j64_ligand_33_532_dock/MCpath4.xyz +185 -0
- 5j64_ligand_33_532_dock/MCpath40.xyz +271 -0
- 5j64_ligand_33_532_dock/MCpath41.xyz +244 -0
- 5j64_ligand_33_532_dock/MCpath42.xyz +426 -0
- 5j64_ligand_33_532_dock/MCpath43.xyz +181 -0
- 5j64_ligand_33_532_dock/MCpath44.xyz +229 -0
- 5j64_ligand_33_532_dock/MCpath45.xyz +231 -0
- 5j64_ligand_33_532_dock/MCpath46.xyz +168 -0
- 5j64_ligand_33_532_dock/MCpath47.xyz +229 -0
- 5j64_ligand_33_532_dock/MCpath48.xyz +129 -0
- 5j64_ligand_33_532_dock/MCpath49.xyz +384 -0
- 5j64_ligand_33_532_dock/MCpath5.xyz +138 -0
- 5j64_ligand_33_532_dock/MCpath50.xyz +407 -0
- 5j64_ligand_33_532_dock/MCpath6.xyz +386 -0
- 5j64_ligand_33_532_dock/MCpath7.xyz +143 -0
- 5j64_ligand_33_532_dock/MCpath8.xyz +383 -0
.gitattributes
CHANGED
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| 5863 |
5j27_ligand_native_511/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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| 5864 |
5j27_ligand_native_511/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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5j27_ligand_native_511/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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| 5863 |
5j27_ligand_native_511/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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| 5864 |
5j27_ligand_native_511/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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| 5865 |
5j27_ligand_native_511/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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| 5866 |
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5j64_ligand_33_532_dock/Pro_lig1.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig10.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig11.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig12.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig13.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig14.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig15.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig16.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig17.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig18.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig19.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig2.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig20.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig21.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig22.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig23.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig24.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig25.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig26.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig27.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig28.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig29.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig3.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig30.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig31.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig32.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig33.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig34.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig35.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig36.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig37.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig38.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig39.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig4.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig40.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig41.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig42.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig43.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig44.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig45.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig47.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig49.h5md filter=lfs diff=lfs merge=lfs -text
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| 5910 |
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5j64_ligand_33_532_dock/Pro_lig5.h5md filter=lfs diff=lfs merge=lfs -text
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| 5911 |
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5j64_ligand_33_532_dock/Pro_lig50.h5md filter=lfs diff=lfs merge=lfs -text
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| 5912 |
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5j64_ligand_33_532_dock/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
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| 5913 |
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5j64_ligand_33_532_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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| 5914 |
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5j64_ligand_33_532_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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5j64_ligand_33_532_dock/MCpath1.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath10.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath11.xyz
ADDED
|
@@ -0,0 +1,145 @@
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5j64_ligand_33_532_dock/MCpath12.xyz
ADDED
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| 1 |
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82
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 19 |
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| 22 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 38 |
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| 39 |
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| 40 |
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| 42 |
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| 49 |
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| 58 |
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| 60 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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| 66 |
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| 67 |
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| 68 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 75 |
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| 76 |
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| 77 |
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| 78 |
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| 79 |
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| 80 |
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| 81 |
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| 82 |
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| 83 |
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| 84 |
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5j64_ligand_33_532_dock/MCpath13.xyz
ADDED
|
@@ -0,0 +1,452 @@
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| 1 |
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450
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| 19 |
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| 20 |
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| 23 |
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| 27 |
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| 28 |
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| 29 |
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| 37 |
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| 38 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 55 |
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| 56 |
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|
5j64_ligand_33_532_dock/MCpath14.xyz
ADDED
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| 1 |
+
1004
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| 2 |
+
1004
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| 3 |
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S 47.0107 40.6475 50.5618
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| 4 |
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S 46.7993 40.7009 50.5165
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| 10 |
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S 46.8484 40.7266 50.5947
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| 14 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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S 46.7233 40.9277 50.6767
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| 24 |
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| 25 |
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| 26 |
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S 46.7845 40.8148 50.7094
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| 27 |
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S 46.8706 40.6863 50.7233
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 37 |
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S 46.5305 40.7331 50.2516
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| 38 |
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| 39 |
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S 46.6436 40.7766 50.2522
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| 40 |
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S 46.6302 40.6032 50.3151
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| 41 |
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| 42 |
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| 43 |
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S 46.5550 40.2783 50.4168
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| 44 |
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| 45 |
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| 46 |
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S 46.5384 40.5827 50.5600
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| 47 |
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S 46.6632 40.7388 50.6387
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| 48 |
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S 46.5213 40.7167 50.6042
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| 49 |
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| 50 |
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S 46.4062 40.4976 50.3959
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| 51 |
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| 52 |
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S 46.5632 40.3507 50.2979
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| 53 |
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S 46.7741 40.5415 50.2653
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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| 62 |
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S 46.4463 40.5835 50.5301
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| 63 |
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S 46.4151 40.6374 50.5831
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| 64 |
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S 46.4885 40.6317 50.5453
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| 65 |
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| 66 |
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S 46.2500 40.4488 50.5375
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| 67 |
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S 46.1988 40.4485 50.6104
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| 68 |
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S 46.2861 40.3876 50.6765
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| 69 |
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S 46.3047 40.4220 50.8066
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| 70 |
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S 46.2030 40.6080 50.9432
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| 71 |
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S 46.0232 40.6210 50.8951
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| 72 |
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S 45.6723 40.6739 50.7904
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| 73 |
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S 45.3730 40.7701 50.6850
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| 74 |
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S 45.1042 40.8268 50.5177
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| 75 |
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S 44.9405 40.8933 50.3799
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| 76 |
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S 45.0347 41.0877 50.3260
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| 77 |
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S 45.1740 41.3855 50.4119
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| 78 |
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S 45.2357 41.7624 50.4185
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| 79 |
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S 45.3524 42.0830 50.3988
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| 80 |
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S 45.5583 42.2210 50.3055
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| 81 |
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S 45.9501 42.2321 50.3003
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| 82 |
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S 46.2767 42.2167 50.3429
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| 83 |
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S 46.5650 42.3859 50.2861
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| 84 |
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S 46.7758 42.6978 50.2834
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| 85 |
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S 46.8667 42.9128 50.1561
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| 86 |
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S 46.8487 43.0387 50.0260
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| 87 |
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S 46.9885 43.0230 50.0398
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| 88 |
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S 47.1754 43.0183 50.1520
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| 89 |
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S 47.4699 42.9707 50.3141
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| 90 |
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S 47.6130 42.8769 50.3231
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| 91 |
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S 47.7327 42.6723 50.3452
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| 92 |
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S 47.6120 42.5248 50.4185
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| 93 |
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S 47.4352 42.4407 50.4797
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| 94 |
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S 47.4785 42.2675 50.3963
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| 95 |
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S 47.4439 42.1257 50.2770
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| 96 |
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S 47.3700 42.1716 50.1960
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| 97 |
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S 47.4428 42.1530 50.1930
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| 98 |
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S 47.4976 42.1182 50.1133
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| 99 |
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S 47.3576 42.1855 50.1400
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| 100 |
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S 47.3222 42.3771 50.2918
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| 101 |
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S 47.4893 42.3128 50.3145
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| 102 |
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S 47.5506 42.3048 50.2836
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| 103 |
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S 47.5906 42.3344 50.2362
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| 104 |
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S 47.7003 42.3705 50.3149
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| 105 |
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S 47.6293 42.4951 50.3098
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| 106 |
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S 47.4472 42.6422 50.3466
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| 107 |
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S 47.4248 42.6846 50.3831
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| 108 |
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S 47.4519 42.6870 50.3601
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| 109 |
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S 47.3555 42.5861 50.3777
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| 110 |
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S 47.4141 42.5622 50.4851
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| 111 |
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S 47.5698 42.6241 50.5482
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| 112 |
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S 47.7291 42.6350 50.5180
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| 113 |
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S 47.8194 42.5598 50.5137
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| 114 |
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S 47.8206 42.5215 50.4500
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| 115 |
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S 47.7519 42.4476 50.3223
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| 116 |
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S 47.7524 42.5035 50.3564
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| 117 |
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S 47.7094 42.5169 50.3963
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| 118 |
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S 47.7290 42.4341 50.3007
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| 119 |
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S 47.7712 42.4232 50.2523
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| 120 |
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S 47.6997 42.5521 50.2097
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| 123 |
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| 124 |
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| 125 |
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| 126 |
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S 47.5401 42.3138 50.6017
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| 127 |
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| 128 |
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S 47.5053 42.3579 50.3129
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| 129 |
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| 130 |
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S 47.3559 42.4781 50.4472
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| 131 |
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S 47.5462 42.4344 50.5642
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| 132 |
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| 133 |
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S 47.6309 42.4412 50.7502
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| 134 |
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S 47.6476 42.5147 50.7543
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| 135 |
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S 47.6611 42.6260 50.7510
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| 136 |
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S 47.7148 42.7876 50.7055
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| 137 |
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| 138 |
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| 139 |
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| 140 |
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S 47.4390 43.9067 50.4858
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| 141 |
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| 142 |
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S 47.4676 44.5085 50.4125
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| 143 |
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| 144 |
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| 145 |
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| 146 |
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| 149 |
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| 200 |
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5j64_ligand_33_532_dock/MCpath15.xyz
ADDED
|
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| 1 |
+
168
|
| 2 |
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168
|
| 3 |
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| 4 |
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| 5 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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S 47.6087 40.3857 50.5073
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| 33 |
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| 34 |
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S 47.5330 40.1698 50.5638
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| 35 |
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| 37 |
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S 47.5983 40.4198 50.4604
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| 38 |
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S 47.5738 40.6391 50.4914
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| 39 |
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S 47.5094 40.7450 50.4138
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| 40 |
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S 47.4757 40.7056 50.3413
|
| 41 |
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S 47.4568 40.5361 50.3141
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| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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S 47.4207 40.5770 50.4191
|
| 47 |
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S 47.2677 40.4905 50.4280
|
| 48 |
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S 47.2286 40.5744 50.4964
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| 49 |
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S 47.3252 40.7409 50.6462
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| 50 |
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S 47.4142 40.7083 50.7163
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| 51 |
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S 47.4110 40.6517 50.7637
|
| 52 |
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S 47.3671 40.5399 50.7455
|
| 53 |
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S 47.5217 40.4309 50.7444
|
| 54 |
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S 47.6887 40.4161 50.8371
|
| 55 |
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S 47.7839 40.4180 50.7830
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| 56 |
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S 47.7394 40.3673 50.6341
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| 57 |
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S 47.6624 40.3803 50.4879
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| 58 |
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| 59 |
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|
| 60 |
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S 47.4984 40.5327 50.3235
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| 61 |
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S 47.5482 40.4589 50.1523
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| 62 |
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S 47.5299 40.4611 50.1659
|
| 63 |
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S 47.3826 40.4766 50.3520
|
| 64 |
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S 47.3584 40.4464 50.3977
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5j64_ligand_33_532_dock/MCpath16.xyz
ADDED
|
@@ -0,0 +1,145 @@
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5j64_ligand_33_532_dock/MCpath17.xyz
ADDED
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S 37.1172 58.0647 38.8550
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S 36.9659 57.9886 38.9400
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S 36.9629 58.0372 39.0519
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S 36.8515 57.9559 38.9155
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S 36.7595 57.9705 38.7707
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S 36.6190 58.0151 38.7283
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S 36.6212 58.1103 38.8181
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S 36.7286 58.2743 38.7447
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S 36.6822 58.4155 38.7587
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S 36.5425 58.4660 38.7917
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S 36.5151 58.4938 38.7557
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S 36.5219 58.5355 38.8003
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S 36.5609 58.6104 38.7871
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S 36.5124 58.7655 38.7981
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S 36.5928 58.9271 38.9712
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S 36.5581 59.1180 39.1125
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| 1125 |
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S 36.5685 59.2549 39.0325
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S 36.5020 59.3499 39.0345
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| 1127 |
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S 36.4397 59.4476 38.9983
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| 1128 |
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S 36.3575 59.4418 38.9478
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S 36.3769 59.4242 38.9929
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| 1130 |
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S 36.3962 59.5412 39.0234
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| 1131 |
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S 36.3244 59.5278 39.1491
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S 36.2869 59.5689 39.0782
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| 1133 |
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S 36.2546 59.4902 38.9638
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| 1134 |
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S 36.2681 59.4787 38.8711
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| 1135 |
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S 36.3451 59.5506 38.7901
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| 1136 |
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S 36.4238 59.6028 38.8121
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| 1137 |
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S 36.4153 59.6520 38.8823
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| 1138 |
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S 36.5202 59.8506 38.8480
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| 1139 |
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S 36.5251 59.9812 38.8099
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| 1140 |
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S 36.4635 60.0414 38.7623
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| 1141 |
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S 36.5059 60.0483 38.8782
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| 1142 |
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S 36.4688 60.0537 38.9257
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| 1143 |
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S 36.5637 60.0570 38.8193
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| 1144 |
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S 36.6633 60.0636 38.6382
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| 1145 |
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S 36.7599 60.0131 38.5593
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| 1146 |
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S 36.7785 60.0540 38.6334
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S 36.5843 60.1572 38.6968
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| 1148 |
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S 36.4897 60.2079 38.6123
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| 1149 |
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S 36.4327 60.2611 38.5035
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5j64_ligand_33_532_dock/MCpath18.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath19.xyz
ADDED
|
@@ -0,0 +1,223 @@
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| 1 |
+
221
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| 2 |
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221
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| 3 |
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| 4 |
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| 20 |
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| 21 |
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| 24 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 32 |
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| 33 |
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| 40 |
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| 64 |
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| 65 |
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| 66 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 75 |
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| 80 |
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| 81 |
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| 82 |
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| 84 |
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| 87 |
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| 91 |
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| 94 |
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| 203 |
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| 204 |
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|
| 205 |
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|
| 206 |
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| 207 |
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| 208 |
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| 210 |
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|
| 211 |
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|
| 212 |
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S 49.7168 34.3545 54.7574
|
| 213 |
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|
| 214 |
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S 49.8143 34.4619 55.1476
|
| 215 |
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S 49.8279 34.5408 55.2481
|
| 216 |
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S 49.7121 34.6387 55.4040
|
| 217 |
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S 49.8166 34.6962 55.5151
|
| 218 |
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|
| 219 |
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|
| 220 |
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|
| 221 |
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|
| 222 |
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|
| 223 |
+
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|
5j64_ligand_33_532_dock/MCpath2.xyz
ADDED
|
@@ -0,0 +1,188 @@
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| 1 |
+
186
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| 2 |
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186
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| 3 |
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| 4 |
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| 18 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 53 |
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| 64 |
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| 70 |
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| 76 |
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| 77 |
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| 78 |
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| 79 |
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| 80 |
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| 83 |
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|
5j64_ligand_33_532_dock/MCpath20.xyz
ADDED
|
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|
| 1 |
+
211
|
| 2 |
+
211
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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| 15 |
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5j64_ligand_33_532_dock/MCpath21.xyz
ADDED
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| 322 |
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| 323 |
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| 324 |
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| 327 |
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| 329 |
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| 330 |
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| 341 |
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|
5j64_ligand_33_532_dock/MCpath22.xyz
ADDED
|
@@ -0,0 +1,141 @@
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| 1 |
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139
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5j64_ligand_33_532_dock/MCpath23.xyz
ADDED
|
@@ -0,0 +1,161 @@
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| 1 |
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159
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| 27 |
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| 28 |
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5j64_ligand_33_532_dock/MCpath24.xyz
ADDED
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| 1 |
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408
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408
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| 24 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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S 47.3372 39.9882 50.6479
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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S 51.6544 35.7464 51.1499
|
| 366 |
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|
| 367 |
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|
| 368 |
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|
| 369 |
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|
| 370 |
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|
| 371 |
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S 51.4977 35.2785 51.1505
|
| 372 |
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S 51.4912 35.3025 51.2703
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| 373 |
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S 51.3881 35.3337 51.3936
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| 374 |
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S 51.3058 35.3646 51.5615
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| 375 |
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S 51.3062 35.3972 51.6116
|
| 376 |
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S 51.3622 35.4689 51.6850
|
| 377 |
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S 51.3672 35.5251 51.7850
|
| 378 |
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S 51.3242 35.5149 51.8779
|
| 379 |
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S 51.3392 35.6165 51.9930
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| 380 |
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S 51.2727 35.7035 52.1477
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| 381 |
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S 51.2780 35.8276 52.3540
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| 382 |
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S 51.2764 35.9445 52.6595
|
| 383 |
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|
| 384 |
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S 51.1960 35.9928 53.1303
|
| 385 |
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S 51.2095 35.9897 53.1300
|
| 386 |
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S 51.2566 35.9946 53.0315
|
| 387 |
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S 51.4077 36.0350 52.9006
|
| 388 |
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S 51.4898 36.0068 52.9338
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| 389 |
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S 51.4975 35.9258 53.0115
|
| 390 |
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S 51.4213 35.8376 53.0158
|
| 391 |
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S 51.4174 35.6542 52.9319
|
| 392 |
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S 51.4766 35.5606 52.8662
|
| 393 |
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|
| 394 |
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S 51.5444 35.4182 53.1406
|
| 395 |
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S 51.5120 35.3075 53.3551
|
| 396 |
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S 51.4238 35.1896 53.5801
|
| 397 |
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S 51.4164 35.2366 53.8167
|
| 398 |
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|
| 399 |
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|
| 400 |
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|
| 401 |
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|
| 402 |
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| 403 |
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|
| 404 |
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| 405 |
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| 406 |
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| 407 |
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| 408 |
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|
| 409 |
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|
| 410 |
+
S 51.2867 35.1156 54.5619
|
5j64_ligand_33_532_dock/MCpath25.xyz
ADDED
|
@@ -0,0 +1,124 @@
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| 1 |
+
122
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| 2 |
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122
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| 3 |
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| 4 |
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| 19 |
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| 20 |
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| 27 |
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| 28 |
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| 29 |
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| 32 |
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| 37 |
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| 39 |
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| 40 |
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| 43 |
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| 44 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 53 |
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| 57 |
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| 58 |
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| 60 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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| 66 |
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| 67 |
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| 68 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 75 |
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| 76 |
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| 77 |
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| 78 |
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| 79 |
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| 80 |
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| 81 |
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| 82 |
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| 83 |
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| 87 |
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| 88 |
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| 89 |
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| 90 |
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| 91 |
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| 93 |
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| 94 |
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| 103 |
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| 104 |
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| 105 |
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| 106 |
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| 107 |
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| 109 |
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|
| 110 |
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| 111 |
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| 112 |
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| 113 |
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| 114 |
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| 123 |
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|
| 124 |
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|
5j64_ligand_33_532_dock/MCpath26.xyz
ADDED
|
@@ -0,0 +1,358 @@
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356
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5j64_ligand_33_532_dock/MCpath27.xyz
ADDED
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@@ -0,0 +1,497 @@
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| 1 |
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495
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| 2 |
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| 75 |
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5j64_ligand_33_532_dock/MCpath28.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath29.xyz
ADDED
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@@ -0,0 +1,344 @@
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| 1 |
+
342
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| 2 |
+
342
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| 3 |
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| 4 |
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| 19 |
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| 23 |
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| 27 |
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| 28 |
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| 32 |
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| 33 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 53 |
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| 62 |
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| 63 |
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| 64 |
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| 66 |
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S 46.4475 40.6762 50.4300
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| 67 |
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S 46.4593 40.6929 50.4167
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| 68 |
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S 46.4778 40.6737 50.3919
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| 69 |
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S 46.6228 40.6213 50.3588
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| 70 |
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S 46.6381 40.5861 50.3502
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| 71 |
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S 46.5444 40.7011 50.3753
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| 72 |
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S 46.4259 40.7677 50.3381
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| 73 |
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S 46.1980 40.6709 50.2746
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| 74 |
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S 46.0886 40.6702 50.3483
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| 75 |
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S 46.0321 40.5949 50.5389
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| 76 |
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S 45.7490 40.5510 50.5760
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| 77 |
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S 45.3287 40.6317 50.6341
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| 78 |
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S 44.9558 40.7242 50.6340
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| 79 |
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S 44.8323 41.0180 50.4497
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| 80 |
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S 44.9021 41.2825 50.2339
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| 81 |
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S 45.1422 41.5057 50.0575
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| 82 |
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S 45.0924 41.8839 49.9537
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| 83 |
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S 45.0596 42.1347 49.6711
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| 84 |
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S 45.2682 42.3723 49.4642
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| 85 |
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| 86 |
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S 46.0929 42.4889 49.4704
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| 87 |
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S 46.4062 42.5418 49.4130
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| 88 |
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| 89 |
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S 46.8806 42.8633 49.2193
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| 90 |
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S 46.8363 43.0121 49.0427
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| 91 |
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S 46.7783 43.0186 49.0513
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| 92 |
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S 46.6990 42.9351 49.2515
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| 93 |
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S 46.7584 42.8052 49.3459
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| 94 |
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S 46.8922 42.6166 49.4216
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| 95 |
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S 46.8681 42.5053 49.4167
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| 96 |
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S 46.8349 42.4513 49.4006
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| 97 |
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S 46.8309 42.3987 49.2814
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| 98 |
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S 46.8587 42.4239 49.3082
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| 99 |
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S 46.8121 42.5259 49.4212
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| 100 |
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S 46.7362 42.5461 49.4393
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| 101 |
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S 46.6804 42.4662 49.3952
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| 102 |
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S 46.6856 42.4355 49.2615
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| 103 |
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S 46.7297 42.3921 49.2362
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| 104 |
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S 46.6893 42.4673 49.2973
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| 105 |
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S 46.4195 42.5228 49.4151
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| 106 |
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S 46.3634 42.5229 49.4586
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| 107 |
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S 46.4374 42.5826 49.4534
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| 108 |
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S 46.4256 42.6560 49.4924
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| 109 |
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S 46.4604 42.5790 49.5505
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| 110 |
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S 46.5029 42.5147 49.5104
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| 111 |
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S 46.4874 42.4961 49.4361
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| 112 |
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S 46.5564 42.4803 49.4735
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| 113 |
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S 46.7007 42.4223 49.6140
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| 114 |
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S 46.8163 42.4964 49.6069
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| 115 |
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S 46.8152 42.6586 49.4991
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| 116 |
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S 46.8221 42.7407 49.5073
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| 117 |
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S 46.8161 42.6735 49.5416
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S 46.6921 42.5689 49.5196
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| 119 |
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S 46.6003 42.4914 49.5741
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| 120 |
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S 46.5959 42.5349 49.4973
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| 123 |
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| 124 |
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| 125 |
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| 126 |
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| 127 |
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| 128 |
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S 46.7867 44.1651 49.8509
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| 129 |
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| 130 |
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S 46.7396 44.1682 49.7280
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| 131 |
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| 132 |
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| 133 |
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S 47.1272 43.9620 49.8611
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| 134 |
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| 135 |
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| 136 |
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S 48.1704 43.6211 50.4553
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| 139 |
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S 47.9604 43.4044 50.2954
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| 140 |
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S 47.9556 43.4943 50.5354
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| 141 |
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S 47.9547 43.5056 50.8163
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| 142 |
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S 48.0763 43.4679 50.8807
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| 143 |
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S 48.1236 43.3679 50.6437
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| 144 |
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| 145 |
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S 47.9642 43.2417 50.4501
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| 146 |
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S 47.7789 43.2601 50.5732
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S 47.6323 43.2854 50.6094
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| 148 |
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| 149 |
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S 47.7524 43.3534 50.6478
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| 150 |
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S 47.9740 43.3610 50.7015
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| 151 |
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| 154 |
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S 49.0613 43.6191 50.4546
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S 49.4368 43.7383 50.7083
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| 173 |
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| 174 |
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| 179 |
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| 180 |
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| 181 |
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| 182 |
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| 183 |
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| 184 |
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| 185 |
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| 186 |
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| 187 |
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| 188 |
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| 189 |
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| 190 |
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| 191 |
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| 193 |
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| 194 |
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| 195 |
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| 198 |
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| 199 |
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S 49.6342 42.3538 49.1416
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5j64_ligand_33_532_dock/MCpath3.xyz
ADDED
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192
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5j64_ligand_33_532_dock/MCpath31.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath32.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath33.xyz
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|
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|
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|
|
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|
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|
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|
| 1 |
+
166
|
| 2 |
+
166
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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S 47.7069 40.3917 50.1093
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| 27 |
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S 47.7099 40.2794 50.1776
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| 28 |
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S 47.6059 40.3265 50.3018
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| 29 |
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S 47.5550 40.3817 50.3359
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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| 66 |
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| 67 |
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| 68 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 75 |
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| 76 |
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| 77 |
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| 78 |
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| 79 |
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| 80 |
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| 82 |
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| 83 |
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| 84 |
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| 85 |
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| 86 |
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| 87 |
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| 88 |
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| 89 |
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| 90 |
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| 91 |
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| 92 |
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| 93 |
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| 94 |
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| 95 |
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| 96 |
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| 97 |
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| 98 |
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| 99 |
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| 100 |
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| 101 |
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| 102 |
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| 103 |
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| 104 |
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| 105 |
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| 106 |
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| 107 |
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| 108 |
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| 109 |
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| 110 |
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| 111 |
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| 112 |
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| 113 |
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| 114 |
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| 115 |
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| 116 |
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| 117 |
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| 118 |
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| 119 |
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| 120 |
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| 121 |
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| 122 |
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| 123 |
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| 124 |
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| 125 |
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| 126 |
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| 127 |
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| 128 |
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| 129 |
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| 130 |
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| 131 |
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| 132 |
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| 140 |
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| 148 |
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| 149 |
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| 150 |
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| 168 |
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|
5j64_ligand_33_532_dock/MCpath34.xyz
ADDED
|
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|
| 1 |
+
169
|
| 2 |
+
169
|
| 3 |
+
S 46.9662 40.8332 50.3398
|
| 4 |
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S 46.9284 40.7815 50.4243
|
| 5 |
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| 6 |
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| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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S 46.9768 40.8780 50.2917
|
| 14 |
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S 46.9164 40.8864 50.3688
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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S 47.7790 40.6422 50.2074
|
| 21 |
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S 47.8214 40.5533 50.2515
|
| 22 |
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S 47.7507 40.5808 50.4406
|
| 23 |
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S 47.5456 40.6033 50.5194
|
| 24 |
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S 47.4073 40.5114 50.6075
|
| 25 |
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S 47.3669 40.3974 50.6246
|
| 26 |
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S 47.4174 40.2716 50.5656
|
| 27 |
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S 47.4438 40.1773 50.5293
|
| 28 |
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S 47.5030 40.2724 50.5269
|
| 29 |
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S 47.6305 40.4465 50.5429
|
| 30 |
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S 47.7230 40.5863 50.4507
|
| 31 |
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S 47.6472 40.6893 50.4299
|
| 32 |
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S 47.4936 40.6456 50.3991
|
| 33 |
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S 47.4712 40.4935 50.3776
|
| 34 |
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5j64_ligand_33_532_dock/MCpath35.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath36.xyz
ADDED
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| 190 |
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|
5j64_ligand_33_532_dock/MCpath37.xyz
ADDED
|
@@ -0,0 +1,154 @@
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5j64_ligand_33_532_dock/MCpath38.xyz
ADDED
|
@@ -0,0 +1,183 @@
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| 1 |
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181
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5j64_ligand_33_532_dock/MCpath39.xyz
ADDED
|
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| 1 |
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113
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| 115 |
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5j64_ligand_33_532_dock/MCpath4.xyz
ADDED
|
@@ -0,0 +1,185 @@
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| 1 |
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5j64_ligand_33_532_dock/MCpath40.xyz
ADDED
|
@@ -0,0 +1,271 @@
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| 1 |
+
269
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| 2 |
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269
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| 3 |
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| 4 |
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| 23 |
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| 28 |
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| 32 |
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| 33 |
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| 110 |
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S 47.6201 42.8592 49.5489
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| 214 |
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| 215 |
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| 220 |
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| 222 |
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| 224 |
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5j64_ligand_33_532_dock/MCpath41.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath42.xyz
ADDED
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@@ -0,0 +1,426 @@
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5j64_ligand_33_532_dock/MCpath43.xyz
ADDED
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|
| 1 |
+
179
|
| 2 |
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179
|
| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 55 |
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| 56 |
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| 57 |
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| 60 |
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| 62 |
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| 63 |
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| 64 |
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| 66 |
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| 68 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 75 |
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| 76 |
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| 77 |
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| 78 |
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| 80 |
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| 91 |
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| 92 |
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| 99 |
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| 100 |
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| 101 |
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| 102 |
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| 103 |
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| 104 |
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| 105 |
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| 106 |
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| 107 |
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| 108 |
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| 109 |
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| 110 |
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| 111 |
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| 128 |
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| 129 |
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| 130 |
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| 131 |
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| 132 |
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| 133 |
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| 134 |
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| 135 |
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| 136 |
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| 139 |
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| 140 |
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| 141 |
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| 142 |
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| 143 |
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| 144 |
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| 162 |
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| 163 |
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| 173 |
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| 181 |
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|
5j64_ligand_33_532_dock/MCpath44.xyz
ADDED
|
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|
| 1 |
+
227
|
| 2 |
+
227
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 16 |
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| 17 |
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|
| 18 |
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5j64_ligand_33_532_dock/MCpath45.xyz
ADDED
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| 1 |
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229
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5j64_ligand_33_532_dock/MCpath46.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath47.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath48.xyz
ADDED
|
@@ -0,0 +1,129 @@
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5j64_ligand_33_532_dock/MCpath49.xyz
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
+
382
|
| 2 |
+
382
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| 3 |
+
S 46.9996 40.5814 50.4160
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| 4 |
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S 47.1703 40.5167 50.4983
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| 5 |
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| 6 |
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| 7 |
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S 47.1473 40.4537 50.4412
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| 8 |
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| 9 |
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S 47.2671 40.6047 50.3656
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| 10 |
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S 47.2200 40.6362 50.3876
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| 11 |
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| 12 |
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| 14 |
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| 15 |
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| 17 |
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| 18 |
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| 19 |
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S 47.3396 40.7420 50.4412
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| 20 |
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S 47.3044 40.7335 50.5519
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| 21 |
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| 22 |
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| 23 |
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S 47.3334 40.5244 50.4662
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| 24 |
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S 47.3267 40.4066 50.3578
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| 25 |
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S 47.4426 40.4184 50.3937
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| 26 |
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S 47.4588 40.4932 50.3710
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| 27 |
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S 47.3752 40.5179 50.3102
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| 28 |
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S 47.3697 40.4811 50.4368
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| 29 |
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S 47.3731 40.5042 50.5798
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| 30 |
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| 31 |
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| 32 |
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S 47.3427 40.5951 50.5552
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| 33 |
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| 34 |
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S 47.4034 40.6414 50.5066
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| 35 |
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| 36 |
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| 37 |
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S 47.5538 40.5384 50.5094
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| 38 |
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S 47.5915 40.5935 50.6215
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| 39 |
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S 47.5744 40.5883 50.6262
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| 40 |
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S 47.5403 40.5788 50.5740
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| 41 |
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| 42 |
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| 43 |
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S 47.4314 40.6491 50.2803
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| 44 |
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| 45 |
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| 46 |
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S 47.6877 40.7736 50.3880
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| 47 |
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S 47.7869 40.6843 50.4229
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| 48 |
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S 47.6422 40.4385 50.5746
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| 49 |
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S 47.4641 40.2201 50.5470
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| 50 |
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S 47.4168 40.2209 50.5562
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| 51 |
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S 47.3726 40.3262 50.5938
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| 52 |
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S 47.3788 40.4771 50.6678
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| 53 |
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S 47.4713 40.4492 50.6533
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| 54 |
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S 47.5853 40.3309 50.6405
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| 55 |
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S 47.5222 40.2617 50.5705
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| 56 |
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| 57 |
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S 47.3426 40.2333 50.6344
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| 58 |
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S 47.4057 40.2497 50.6489
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| 59 |
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S 47.5402 40.2873 50.5497
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| 60 |
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S 47.6819 40.3511 50.3568
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| 61 |
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S 47.7536 40.4215 50.2260
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| 62 |
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S 47.7303 40.4855 50.1227
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| 63 |
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S 47.7368 40.5334 50.0358
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| 64 |
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S 47.6467 40.5390 50.1231
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| 65 |
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S 47.6534 40.4599 50.3559
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| 66 |
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S 47.6737 40.4460 50.5061
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| 67 |
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S 47.6082 40.3577 50.5251
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| 68 |
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S 47.5206 40.3125 50.5576
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| 69 |
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S 47.5390 40.3188 50.4707
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| 70 |
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S 47.6105 40.3509 50.5091
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| 71 |
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S 47.6766 40.3837 50.5842
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| 72 |
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S 47.7987 40.4607 50.5922
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| 73 |
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S 47.8212 40.5038 50.6169
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| 74 |
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S 47.7750 40.5034 50.6379
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| 75 |
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S 47.6162 40.5264 50.5737
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| 76 |
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S 47.4529 40.6258 50.5079
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| 77 |
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S 47.3035 40.6444 50.4371
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| 78 |
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S 47.2549 40.6400 50.3709
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| 79 |
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S 47.3270 40.5829 50.3767
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| 80 |
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S 47.3055 40.5566 50.5379
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| 81 |
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S 47.1745 40.5146 50.6403
|
| 82 |
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S 47.1814 40.4750 50.5419
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| 83 |
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S 47.3096 40.5038 50.5088
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| 84 |
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S 47.3796 40.5389 50.4441
|
| 85 |
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S 47.4438 40.6465 50.4359
|
| 86 |
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S 47.5349 40.6775 50.5048
|
| 87 |
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S 47.5289 40.7126 50.5402
|
| 88 |
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S 47.4437 40.6858 50.5488
|
| 89 |
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S 47.3883 40.5967 50.5522
|
| 90 |
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S 47.4113 40.5254 50.5272
|
| 91 |
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S 47.4380 40.4572 50.5370
|
| 92 |
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S 47.4372 40.4417 50.6244
|
| 93 |
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S 47.4789 40.4133 50.6120
|
| 94 |
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S 47.3856 40.4387 50.7711
|
| 95 |
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S 47.3112 40.4963 50.7796
|
| 96 |
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S 47.3770 40.5833 50.7296
|
| 97 |
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S 47.3895 40.5324 50.7847
|
| 98 |
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S 47.3539 40.4673 50.7464
|
| 99 |
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S 47.3118 40.4496 50.6390
|
| 100 |
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S 47.2734 40.4385 50.5290
|
| 101 |
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S 47.1986 40.4961 50.4460
|
| 102 |
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S 47.2939 40.4885 50.4513
|
| 103 |
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S 47.4306 40.4044 50.3719
|
| 104 |
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S 47.5398 40.4229 50.2547
|
| 105 |
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S 47.5873 40.3740 50.2070
|
| 106 |
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S 47.5155 40.4595 50.2311
|
| 107 |
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S 47.5168 40.5968 50.3355
|
| 108 |
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S 47.4968 40.7329 50.3240
|
| 109 |
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S 47.5001 40.8420 50.3564
|
| 110 |
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S 47.4386 40.8810 50.4099
|
| 111 |
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S 47.3294 40.7911 50.5318
|
| 112 |
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S 47.3667 40.7650 50.5737
|
| 113 |
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S 47.4948 40.5910 50.4442
|
| 114 |
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S 47.5630 40.4272 50.4640
|
| 115 |
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S 47.5699 40.3310 50.4528
|
| 116 |
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S 47.4992 40.4146 50.4895
|
| 117 |
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S 47.3647 40.4048 50.4773
|
| 118 |
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S 47.4373 40.4199 50.4905
|
| 119 |
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S 47.6717 40.4507 50.4104
|
| 120 |
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S 47.8915 40.4750 50.4399
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| 121 |
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S 48.2013 40.4653 50.5397
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| 122 |
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S 49.3333 40.3023 50.6870
|
| 123 |
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S 50.2368 39.9073 50.7159
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| 124 |
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S 50.7032 39.6059 50.7529
|
| 125 |
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S 50.9821 39.5457 50.6458
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| 126 |
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S 51.0527 39.5323 50.4377
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| 127 |
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S 50.8556 39.4252 50.2257
|
| 128 |
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S 50.7188 39.2420 50.1297
|
| 129 |
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S 50.5093 39.1157 50.0720
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| 130 |
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S 50.2630 38.9697 50.1009
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| 131 |
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S 50.0582 38.8456 50.2064
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| 132 |
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S 50.0434 38.6960 50.2226
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| 133 |
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S 50.2278 38.5249 50.2477
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| 134 |
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S 50.3011 38.3787 50.3146
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| 135 |
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S 50.3368 38.3188 50.2937
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| 136 |
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S 50.3419 38.2621 50.2424
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| 137 |
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S 50.3118 38.0880 50.2513
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| 138 |
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S 50.2599 37.9572 50.2789
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| 139 |
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S 50.1880 37.8657 50.3226
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| 140 |
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S 50.2261 37.8076 50.4052
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| 141 |
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S 50.2853 37.7603 50.5306
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| 142 |
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S 50.2694 37.6955 50.5945
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| 143 |
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S 50.2944 37.6685 50.5450
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| 144 |
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S 50.3025 37.6450 50.4582
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| 145 |
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S 50.2197 37.6906 50.4723
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| 146 |
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S 50.2302 37.8515 50.6106
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| 147 |
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S 50.2686 38.0670 50.8016
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| 148 |
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S 50.3282 38.1945 50.8583
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| 149 |
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S 50.5273 38.3721 50.8944
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| 150 |
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| 151 |
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| 152 |
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| 153 |
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S 50.0497 38.7535 51.7123
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| 154 |
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S 49.7934 38.9201 51.9574
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| 155 |
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S 49.4905 39.1246 52.2000
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| 156 |
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S 49.3379 39.1926 52.4178
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| 157 |
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S 49.3667 39.2120 52.5849
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| 158 |
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S 49.5430 39.1985 52.7953
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| 159 |
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S 49.6608 39.1664 52.8675
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| 160 |
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S 49.6827 39.1801 52.7154
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| 161 |
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S 49.6271 39.2683 52.5931
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| 162 |
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S 49.6279 39.4005 52.5118
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| 163 |
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S 49.6978 39.4783 52.3024
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| 164 |
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S 49.7017 39.4681 52.1488
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| 165 |
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S 49.6434 39.5097 52.0583
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| 166 |
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S 49.5858 39.5447 51.9037
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| 167 |
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S 49.6263 39.5330 51.7874
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| 168 |
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S 49.7732 39.4809 51.6340
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| 169 |
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S 49.8588 39.4104 51.4921
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| 170 |
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S 49.9575 39.3565 51.4215
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| 171 |
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S 50.1050 39.4531 51.4093
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| 172 |
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S 50.1945 39.7077 51.4244
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| 173 |
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S 50.2782 39.9213 51.3453
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| 174 |
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S 50.1813 40.1443 51.2861
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| 175 |
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S 50.0925 40.2480 51.0382
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| 176 |
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S 49.9714 40.4417 50.7090
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| 177 |
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S 50.0076 40.6184 50.5778
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| 178 |
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| 179 |
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S 50.0586 41.0448 50.5059
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| 180 |
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S 50.0982 41.2133 50.4626
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| 181 |
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S 50.0178 41.2765 50.4804
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| 182 |
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S 49.8990 41.3415 50.5358
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| 183 |
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S 50.0417 41.3800 50.5460
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| 184 |
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S 50.0383 41.4712 50.5227
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| 185 |
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S 49.9590 41.5661 50.4500
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| 186 |
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| 187 |
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S 50.0077 41.8861 50.2859
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| 188 |
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S 49.9779 41.8596 50.3335
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| 189 |
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S 49.8257 41.8003 50.3096
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| 190 |
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S 49.8527 41.8999 50.2355
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| 191 |
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S 49.9735 41.9893 50.1975
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| 192 |
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S 50.0380 41.9582 50.1970
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| 193 |
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S 50.1269 41.8875 50.1946
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| 194 |
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S 50.1449 41.9035 50.0412
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| 195 |
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| 196 |
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| 197 |
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S 50.2189 41.5818 50.1550
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| 198 |
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S 50.3323 41.4463 50.2340
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| 199 |
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| 200 |
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S 50.3382 41.2643 50.1710
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| 201 |
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| 202 |
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S 50.7095 41.3235 50.1110
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| 203 |
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| 204 |
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S 50.6893 41.6447 50.0622
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| 205 |
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S 50.5435 41.6273 50.1292
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5j64_ligand_33_532_dock/MCpath5.xyz
ADDED
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5j64_ligand_33_532_dock/MCpath6.xyz
ADDED
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| 1 |
+
384
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| 2 |
+
384
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| 3 |
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S 47.2314 40.5385 50.5409
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| 4 |
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| 5 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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S 47.2993 40.4276 50.3495
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| 51 |
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S 47.4802 40.3559 50.2897
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| 53 |
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S 47.4997 40.2822 50.2493
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| 54 |
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| 55 |
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| 60 |
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| 61 |
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| 62 |
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| 63 |
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S 47.5913 40.6736 50.7818
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| 64 |
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S 47.6171 40.8535 50.8079
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| 65 |
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S 47.6339 41.0373 50.8330
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| 66 |
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S 47.7128 41.0648 50.8128
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| 67 |
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S 47.6755 40.9748 50.7104
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| 68 |
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S 47.6010 40.7777 50.6476
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| 69 |
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S 47.6071 40.6856 50.6529
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| 70 |
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S 47.5615 40.7234 50.6844
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| 71 |
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S 47.2847 40.7168 50.5527
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| 72 |
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S 47.1223 40.5954 50.4397
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| 73 |
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S 47.1789 40.4721 50.3772
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| 74 |
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S 47.3571 40.4653 50.3691
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| 75 |
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S 47.4305 40.4790 50.3756
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| 76 |
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S 47.3197 40.4725 50.3793
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| 77 |
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S 47.3134 40.4465 50.3492
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| 78 |
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S 47.4436 40.5134 50.2975
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| 79 |
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S 47.5558 40.5683 50.1778
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| 80 |
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S 47.6183 40.4617 50.0556
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| 81 |
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S 47.5939 40.3836 50.0258
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| 82 |
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S 47.6515 40.2907 50.0977
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| 83 |
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S 47.7296 40.2761 50.2393
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| 84 |
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S 47.6686 40.3206 50.2478
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| 85 |
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S 47.6153 40.2883 50.2570
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| 86 |
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S 47.5965 40.2545 50.2957
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| 87 |
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S 47.7024 40.2163 50.4194
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| 88 |
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S 47.7167 40.3159 50.4792
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| 89 |
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S 47.6970 40.4131 50.4929
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| 90 |
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S 47.7203 40.5205 50.5245
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| 91 |
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S 47.6730 40.5612 50.4978
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| 92 |
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S 47.6016 40.4480 50.5326
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| 93 |
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S 47.5828 40.3286 50.6078
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| 94 |
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S 47.6109 40.3566 50.5983
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| 95 |
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S 47.5179 40.4375 50.5265
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| 96 |
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S 47.3948 40.4938 50.5373
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| 97 |
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S 47.4226 40.5866 50.4941
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| 98 |
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S 47.4842 40.5989 50.4913
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| 99 |
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S 47.5577 40.5395 50.5824
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| 100 |
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S 47.5629 40.5819 50.5455
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| 101 |
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S 47.4868 40.6840 50.3734
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| 102 |
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S 47.5280 40.6608 50.2949
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| 103 |
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S 47.5205 40.6659 50.2041
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| 104 |
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S 47.5467 40.5943 50.2653
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| 105 |
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S 47.5507 40.4776 50.3232
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| 106 |
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S 47.4772 40.4164 50.4261
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| 107 |
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S 47.4548 40.4474 50.5287
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| 108 |
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S 47.4246 40.4316 50.5716
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| 109 |
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S 47.4594 40.3789 50.5038
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| 110 |
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S 47.5009 40.3662 50.4574
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| 111 |
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S 47.5196 40.4051 50.5111
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| 112 |
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S 47.5096 40.3145 50.6342
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| 113 |
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S 47.4616 40.3000 50.6467
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| 114 |
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S 47.4791 40.3252 50.6487
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| 115 |
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S 47.5208 40.4422 50.5962
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| 116 |
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S 47.5837 40.5738 50.5619
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| 117 |
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S 47.6301 40.6454 50.5566
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| 118 |
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S 47.6263 40.6580 50.5589
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| 119 |
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S 47.5169 40.6242 50.4529
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| 120 |
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S 47.3736 40.6912 50.4722
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| 121 |
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S 47.2708 40.7148 50.5432
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| 122 |
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S 47.1753 40.6801 50.5213
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| 123 |
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S 47.2631 40.6095 50.5599
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| 124 |
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S 47.4271 40.5708 50.5919
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| 125 |
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S 47.5346 40.5023 50.5057
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| 126 |
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S 47.5464 40.4115 50.4573
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| 127 |
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S 47.6707 40.3876 50.3921
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| 128 |
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S 47.7163 40.4469 50.3185
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| 129 |
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S 47.6456 40.5242 50.3148
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| 130 |
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S 47.6078 40.5512 50.2756
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S 47.6462 40.3479 50.6020
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| 139 |
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| 140 |
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| 141 |
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| 143 |
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| 154 |
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S 47.1386 40.7812 50.7525
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| 157 |
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| 158 |
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S 47.4390 40.6845 50.4930
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| 159 |
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S 47.3597 40.6004 50.3145
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| 160 |
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S 47.2240 40.5814 50.2514
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S 47.2145 40.5746 50.3130
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| 179 |
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| 180 |
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| 184 |
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| 185 |
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| 186 |
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| 187 |
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| 188 |
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| 189 |
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| 190 |
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| 191 |
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| 192 |
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| 193 |
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| 194 |
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| 195 |
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| 196 |
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| 198 |
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| 204 |
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| 206 |
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| 207 |
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| 208 |
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| 209 |
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S 49.8007 37.9345 51.3807
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| 210 |
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S 49.8507 37.9618 51.2637
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5j64_ligand_33_532_dock/MCpath7.xyz
ADDED
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| 1 |
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141
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5j64_ligand_33_532_dock/MCpath8.xyz
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