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- .gitattributes +50 -0
- 5iub_ligand_native_245/MCpath1.xyz +42 -0
- 5iub_ligand_native_245/MCpath10.xyz +74 -0
- 5iub_ligand_native_245/MCpath11.xyz +52 -0
- 5iub_ligand_native_245/MCpath12.xyz +39 -0
- 5iub_ligand_native_245/MCpath13.xyz +53 -0
- 5iub_ligand_native_245/MCpath14.xyz +79 -0
- 5iub_ligand_native_245/MCpath15.xyz +54 -0
- 5iub_ligand_native_245/MCpath16.xyz +45 -0
- 5iub_ligand_native_245/MCpath17.xyz +42 -0
- 5iub_ligand_native_245/MCpath18.xyz +40 -0
- 5iub_ligand_native_245/MCpath19.xyz +69 -0
- 5iub_ligand_native_245/MCpath2.xyz +50 -0
- 5iub_ligand_native_245/MCpath20.xyz +42 -0
- 5iub_ligand_native_245/MCpath21.xyz +45 -0
- 5iub_ligand_native_245/MCpath22.xyz +53 -0
- 5iub_ligand_native_245/MCpath23.xyz +58 -0
- 5iub_ligand_native_245/MCpath24.xyz +110 -0
- 5iub_ligand_native_245/MCpath25.xyz +75 -0
- 5iub_ligand_native_245/MCpath26.xyz +141 -0
- 5iub_ligand_native_245/MCpath27.xyz +67 -0
- 5iub_ligand_native_245/MCpath28.xyz +67 -0
- 5iub_ligand_native_245/MCpath29.xyz +64 -0
- 5iub_ligand_native_245/MCpath3.xyz +52 -0
- 5iub_ligand_native_245/MCpath30.xyz +52 -0
- 5iub_ligand_native_245/MCpath31.xyz +73 -0
- 5iub_ligand_native_245/MCpath32.xyz +58 -0
- 5iub_ligand_native_245/MCpath33.xyz +59 -0
- 5iub_ligand_native_245/MCpath34.xyz +71 -0
- 5iub_ligand_native_245/MCpath35.xyz +42 -0
- 5iub_ligand_native_245/MCpath36.xyz +46 -0
- 5iub_ligand_native_245/MCpath37.xyz +81 -0
- 5iub_ligand_native_245/MCpath38.xyz +40 -0
- 5iub_ligand_native_245/MCpath39.xyz +75 -0
- 5iub_ligand_native_245/MCpath4.xyz +42 -0
- 5iub_ligand_native_245/MCpath40.xyz +68 -0
- 5iub_ligand_native_245/MCpath41.xyz +59 -0
- 5iub_ligand_native_245/MCpath42.xyz +57 -0
- 5iub_ligand_native_245/MCpath43.xyz +87 -0
- 5iub_ligand_native_245/MCpath44.xyz +57 -0
- 5iub_ligand_native_245/MCpath45.xyz +60 -0
- 5iub_ligand_native_245/MCpath46.xyz +66 -0
- 5iub_ligand_native_245/MCpath47.xyz +49 -0
- 5iub_ligand_native_245/MCpath48.xyz +39 -0
- 5iub_ligand_native_245/MCpath49.xyz +126 -0
- 5iub_ligand_native_245/MCpath5.xyz +57 -0
- 5iub_ligand_native_245/MCpath50.xyz +53 -0
- 5iub_ligand_native_245/MCpath6.xyz +61 -0
- 5iub_ligand_native_245/MCpath7.xyz +56 -0
- 5iub_ligand_native_245/MCpath8.xyz +51 -0
.gitattributes
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5hh4_ligand_2_658_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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5hh4_ligand_2_658_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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5hh4_ligand_2_658_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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5hh4_ligand_2_658_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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5hh4_ligand_2_658_dock/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig1.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig45.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig47.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig49.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig5.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig50.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/MCpath1.xyz
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5iub_ligand_native_245/MCpath10.xyz
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| 67 |
+
S 46.7152 77.9196 42.3958
|
| 68 |
+
S 46.5689 77.9709 42.2854
|
| 69 |
+
S 46.4809 78.0705 42.2146
|
| 70 |
+
S 46.4805 78.1461 42.1444
|
| 71 |
+
S 46.4417 78.2694 42.0742
|
| 72 |
+
S 46.3861 78.4350 42.1002
|
| 73 |
+
S 46.3420 78.6247 42.1536
|
| 74 |
+
S 46.3897 78.9253 42.2344
|
5iub_ligand_native_245/MCpath11.xyz
ADDED
|
@@ -0,0 +1,52 @@
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| 1 |
+
50
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| 2 |
+
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| 3 |
+
S 46.4019 75.1486 42.6562
|
| 4 |
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S 46.4092 75.1665 42.6023
|
| 5 |
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S 46.4687 75.1993 42.5784
|
| 6 |
+
S 46.4614 75.2329 42.5688
|
| 7 |
+
S 46.4085 75.2570 42.5636
|
| 8 |
+
S 46.3406 75.2740 42.6058
|
| 9 |
+
S 46.2369 75.2858 42.6522
|
| 10 |
+
S 46.2290 75.3262 42.6898
|
| 11 |
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S 46.2680 75.3997 42.7124
|
| 12 |
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S 46.2933 75.5412 42.7466
|
| 13 |
+
S 46.3694 75.6685 42.6080
|
| 14 |
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S 46.4954 75.7487 42.4790
|
| 15 |
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S 46.5705 75.8209 42.4495
|
| 16 |
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S 46.5932 75.8973 42.3776
|
| 17 |
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S 46.6558 76.0848 42.3312
|
| 18 |
+
S 46.7943 76.2312 42.3048
|
| 19 |
+
S 46.8954 76.3805 42.2932
|
| 20 |
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S 46.8847 76.5601 42.3220
|
| 21 |
+
S 46.7870 76.7100 42.3208
|
| 22 |
+
S 46.6646 76.8761 42.2567
|
| 23 |
+
S 46.5615 77.0081 42.2901
|
| 24 |
+
S 46.5083 77.1536 42.4363
|
| 25 |
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S 46.4956 77.2727 42.4859
|
| 26 |
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S 46.4298 77.4113 42.5510
|
| 27 |
+
S 46.3852 77.5211 42.6201
|
| 28 |
+
S 46.4027 77.5454 42.5873
|
| 29 |
+
S 46.2690 77.5298 42.5645
|
| 30 |
+
S 46.0843 77.5023 42.5780
|
| 31 |
+
S 45.9596 77.4700 42.6427
|
| 32 |
+
S 45.7807 77.4146 42.6766
|
| 33 |
+
S 45.5414 77.3770 42.6560
|
| 34 |
+
S 45.3628 77.3915 42.6528
|
| 35 |
+
S 45.1922 77.4370 42.5360
|
| 36 |
+
S 45.0499 77.5385 42.4051
|
| 37 |
+
S 45.0396 77.5754 42.1690
|
| 38 |
+
S 45.0071 77.7251 42.0272
|
| 39 |
+
S 44.9988 77.8707 42.0307
|
| 40 |
+
S 45.0854 78.0369 42.1372
|
| 41 |
+
S 45.2200 78.2091 42.2371
|
| 42 |
+
S 45.3245 78.2543 42.3627
|
| 43 |
+
S 45.4631 78.3128 42.4417
|
| 44 |
+
S 45.4885 78.3670 42.5424
|
| 45 |
+
S 45.5587 78.4006 42.6533
|
| 46 |
+
S 45.6374 78.4116 42.7223
|
| 47 |
+
S 45.7664 78.4641 42.6396
|
| 48 |
+
S 45.8275 78.4878 42.5142
|
| 49 |
+
S 45.8591 78.5445 42.4426
|
| 50 |
+
S 45.8922 78.5986 42.3786
|
| 51 |
+
S 45.9200 78.6556 42.3975
|
| 52 |
+
S 45.9011 78.7625 42.3667
|
5iub_ligand_native_245/MCpath12.xyz
ADDED
|
@@ -0,0 +1,39 @@
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| 1 |
+
37
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| 2 |
+
37
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| 3 |
+
S 46.8282 75.6562 42.8056
|
| 4 |
+
S 46.8171 75.6325 42.8371
|
| 5 |
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S 46.7843 75.6039 42.8263
|
| 6 |
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S 46.7382 75.6009 42.8151
|
| 7 |
+
S 46.7585 75.6234 42.8178
|
| 8 |
+
S 46.8270 75.6068 42.8298
|
| 9 |
+
S 46.7824 75.6075 42.9163
|
| 10 |
+
S 46.6856 75.6753 42.9080
|
| 11 |
+
S 46.6162 75.7645 42.8638
|
| 12 |
+
S 46.6458 75.9278 42.7902
|
| 13 |
+
S 46.6629 76.1137 42.7110
|
| 14 |
+
S 46.6601 76.2776 42.5862
|
| 15 |
+
S 46.6457 76.4592 42.3786
|
| 16 |
+
S 46.6071 76.6271 42.2384
|
| 17 |
+
S 46.5798 76.7975 42.2156
|
| 18 |
+
S 46.4529 76.9843 42.2560
|
| 19 |
+
S 46.2624 77.0787 42.3408
|
| 20 |
+
S 46.1670 77.1382 42.3542
|
| 21 |
+
S 46.1643 77.2708 42.3557
|
| 22 |
+
S 46.0844 77.3353 42.2773
|
| 23 |
+
S 46.0358 77.4796 42.1945
|
| 24 |
+
S 46.0600 77.7092 42.1337
|
| 25 |
+
S 46.1518 77.9171 42.0932
|
| 26 |
+
S 46.2610 77.9454 41.9262
|
| 27 |
+
S 46.4614 77.8861 41.7700
|
| 28 |
+
S 46.6234 77.8103 41.8106
|
| 29 |
+
S 46.7338 77.7924 41.7748
|
| 30 |
+
S 46.7197 77.8571 41.7401
|
| 31 |
+
S 46.7167 77.9119 41.7897
|
| 32 |
+
S 46.7268 77.9847 41.8636
|
| 33 |
+
S 46.7706 77.9569 41.7996
|
| 34 |
+
S 46.7972 77.9794 41.7488
|
| 35 |
+
S 46.7367 78.0553 41.6603
|
| 36 |
+
S 46.6313 78.2419 41.6335
|
| 37 |
+
S 46.5165 78.4488 41.6600
|
| 38 |
+
S 46.4435 78.6767 41.6725
|
| 39 |
+
S 46.3723 78.7718 41.6085
|
5iub_ligand_native_245/MCpath13.xyz
ADDED
|
@@ -0,0 +1,53 @@
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| 1 |
+
51
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| 2 |
+
51
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| 3 |
+
S 46.5773 75.1884 42.8755
|
| 4 |
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S 46.5869 75.2342 42.8638
|
| 5 |
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S 46.5413 75.3107 42.7738
|
| 6 |
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S 46.4689 75.4090 42.7574
|
| 7 |
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S 46.4266 75.4806 42.6693
|
| 8 |
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S 46.3729 75.5039 42.5676
|
| 9 |
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S 46.3408 75.4892 42.5449
|
| 10 |
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S 46.3065 75.4675 42.5955
|
| 11 |
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S 46.2767 75.5065 42.5657
|
| 12 |
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S 46.2800 75.5411 42.5071
|
| 13 |
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S 46.3919 75.5222 42.5266
|
| 14 |
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S 46.4899 75.4314 42.4715
|
| 15 |
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S 46.5508 75.3184 42.3505
|
| 16 |
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S 46.5709 75.2858 42.3692
|
| 17 |
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S 46.5196 75.3085 42.4597
|
| 18 |
+
S 46.5170 75.2928 42.5342
|
| 19 |
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S 46.5293 75.2750 42.5949
|
| 20 |
+
S 46.5867 75.2910 42.6626
|
| 21 |
+
S 46.6699 75.3150 42.7480
|
| 22 |
+
S 46.6885 75.3426 42.6604
|
| 23 |
+
S 46.6842 75.4426 42.5450
|
| 24 |
+
S 46.5953 75.5888 42.4688
|
| 25 |
+
S 46.5353 75.7443 42.4905
|
| 26 |
+
S 46.3999 75.9346 42.5609
|
| 27 |
+
S 46.2371 76.1955 42.5364
|
| 28 |
+
S 46.1257 76.4462 42.4632
|
| 29 |
+
S 46.0457 76.7547 42.3167
|
| 30 |
+
S 46.1043 77.0191 42.2644
|
| 31 |
+
S 46.1789 77.1515 42.1904
|
| 32 |
+
S 46.2839 77.2068 42.0687
|
| 33 |
+
S 46.3214 77.2465 42.0075
|
| 34 |
+
S 46.3592 77.3687 42.0063
|
| 35 |
+
S 46.3943 77.5019 41.8983
|
| 36 |
+
S 46.5179 77.6053 41.7553
|
| 37 |
+
S 46.7162 77.6423 41.6796
|
| 38 |
+
S 46.7735 77.6284 41.7421
|
| 39 |
+
S 46.7241 77.6240 41.7663
|
| 40 |
+
S 46.6853 77.6031 41.7191
|
| 41 |
+
S 46.6348 77.5650 41.7115
|
| 42 |
+
S 46.5421 77.5744 41.7328
|
| 43 |
+
S 46.3981 77.6590 41.7602
|
| 44 |
+
S 46.3265 77.7674 41.6855
|
| 45 |
+
S 46.3391 77.9023 41.6252
|
| 46 |
+
S 46.3463 77.9680 41.6186
|
| 47 |
+
S 46.2786 78.0074 41.5491
|
| 48 |
+
S 46.2958 77.9902 41.4661
|
| 49 |
+
S 46.4303 77.9559 41.4612
|
| 50 |
+
S 46.5134 78.0589 41.4220
|
| 51 |
+
S 46.6006 78.2624 41.4438
|
| 52 |
+
S 46.6528 78.4519 41.4217
|
| 53 |
+
S 46.7393 78.7474 41.4615
|
5iub_ligand_native_245/MCpath14.xyz
ADDED
|
@@ -0,0 +1,79 @@
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|
| 1 |
+
77
|
| 2 |
+
77
|
| 3 |
+
S 46.4511 75.3761 42.8071
|
| 4 |
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S 46.4572 75.4033 42.7787
|
| 5 |
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S 46.5604 75.4285 42.7649
|
| 6 |
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S 46.6228 75.4751 42.7490
|
| 7 |
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S 46.5933 75.5038 42.6952
|
| 8 |
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S 46.5447 75.5307 42.6670
|
| 9 |
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S 46.4789 75.5515 42.6660
|
| 10 |
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S 46.3963 75.6093 42.7125
|
| 11 |
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S 46.3391 75.6769 42.7305
|
| 12 |
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S 46.3495 75.7792 42.6254
|
| 13 |
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S 46.3367 75.9542 42.5466
|
| 14 |
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S 46.3434 76.0991 42.4483
|
| 15 |
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S 46.3157 76.2574 42.4091
|
| 16 |
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S 46.2887 76.3604 42.3378
|
| 17 |
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S 46.3219 76.4065 42.2770
|
| 18 |
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S 46.4363 76.4483 42.3460
|
| 19 |
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S 46.5282 76.4610 42.4505
|
| 20 |
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S 46.5873 76.5334 42.5227
|
| 21 |
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S 46.5910 76.6692 42.5121
|
| 22 |
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S 46.6513 76.8117 42.4979
|
| 23 |
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S 46.7214 76.8832 42.5338
|
| 24 |
+
S 46.7193 76.9535 42.6064
|
| 25 |
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S 46.6924 77.0419 42.7102
|
| 26 |
+
S 46.6823 77.1515 42.7378
|
| 27 |
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S 46.5948 77.2395 42.6509
|
| 28 |
+
S 46.5245 77.2550 42.5286
|
| 29 |
+
S 46.4549 77.3070 42.4504
|
| 30 |
+
S 46.3386 77.4653 42.3788
|
| 31 |
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S 46.2352 77.6980 42.1866
|
| 32 |
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S 46.2710 77.9366 42.0205
|
| 33 |
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S 46.2670 78.0669 41.8376
|
| 34 |
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S 46.2273 78.0676 41.6367
|
| 35 |
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S 46.1803 78.0773 41.5062
|
| 36 |
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S 46.1317 78.1746 41.5904
|
| 37 |
+
S 46.0200 78.1551 41.5871
|
| 38 |
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S 45.9015 78.1324 41.5281
|
| 39 |
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S 45.8495 78.0971 41.4708
|
| 40 |
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S 45.7979 78.0511 41.4376
|
| 41 |
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S 45.6658 77.9742 41.4531
|
| 42 |
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S 45.5346 77.9492 41.5172
|
| 43 |
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S 45.4127 77.9459 41.6080
|
| 44 |
+
S 45.2090 77.9669 41.6575
|
| 45 |
+
S 45.1202 77.9116 41.5693
|
| 46 |
+
S 45.0859 77.8987 41.4873
|
| 47 |
+
S 45.0303 77.9899 41.4743
|
| 48 |
+
S 44.9565 78.1066 41.4443
|
| 49 |
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S 44.8778 78.2327 41.4416
|
| 50 |
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S 44.7895 78.3543 41.4860
|
| 51 |
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S 44.8119 78.4680 41.5384
|
| 52 |
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S 44.8353 78.5046 41.5688
|
| 53 |
+
S 44.7312 78.4762 41.4637
|
| 54 |
+
S 44.5829 78.4956 41.3570
|
| 55 |
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S 44.3707 78.5830 41.2767
|
| 56 |
+
S 44.2642 78.6179 41.3056
|
| 57 |
+
S 44.2744 78.6212 41.2875
|
| 58 |
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S 44.3171 78.5305 41.2839
|
| 59 |
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S 44.3283 78.4846 41.3692
|
| 60 |
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S 44.3439 78.4274 41.4842
|
| 61 |
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S 44.2742 78.3905 41.5409
|
| 62 |
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S 44.3330 78.3528 41.6662
|
| 63 |
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S 44.3903 78.3350 41.6943
|
| 64 |
+
S 44.3845 78.2038 41.6525
|
| 65 |
+
S 44.3058 78.0655 41.5384
|
| 66 |
+
S 44.1799 77.9649 41.5146
|
| 67 |
+
S 44.1412 77.8943 41.4827
|
| 68 |
+
S 44.0702 77.8916 41.4929
|
| 69 |
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S 44.0687 77.8669 41.4965
|
| 70 |
+
S 44.1577 77.9674 41.5074
|
| 71 |
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S 44.3141 78.1661 41.5152
|
| 72 |
+
S 44.4092 78.3901 41.4731
|
| 73 |
+
S 44.4221 78.4943 41.5099
|
| 74 |
+
S 44.4289 78.5509 41.5824
|
| 75 |
+
S 44.4795 78.6051 41.6651
|
| 76 |
+
S 44.5519 78.6381 41.7102
|
| 77 |
+
S 44.5725 78.6161 41.7285
|
| 78 |
+
S 44.4453 78.6943 41.7869
|
| 79 |
+
S 44.4013 78.7569 41.7072
|
5iub_ligand_native_245/MCpath15.xyz
ADDED
|
@@ -0,0 +1,54 @@
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| 1 |
+
52
|
| 2 |
+
52
|
| 3 |
+
S 46.9789 75.1767 42.7345
|
| 4 |
+
S 46.9293 75.2678 42.6760
|
| 5 |
+
S 46.8884 75.3593 42.6649
|
| 6 |
+
S 46.8390 75.4924 42.7211
|
| 7 |
+
S 46.7528 75.5829 42.6882
|
| 8 |
+
S 46.7174 75.5960 42.5879
|
| 9 |
+
S 46.7303 75.6189 42.5180
|
| 10 |
+
S 46.7827 75.5739 42.4206
|
| 11 |
+
S 46.8493 75.5258 42.5114
|
| 12 |
+
S 46.8546 75.4562 42.6337
|
| 13 |
+
S 46.7397 75.3727 42.6744
|
| 14 |
+
S 46.6132 75.2626 42.6444
|
| 15 |
+
S 46.5494 75.1882 42.6486
|
| 16 |
+
S 46.4511 75.1809 42.6530
|
| 17 |
+
S 46.3080 75.1868 42.5915
|
| 18 |
+
S 46.1805 75.2430 42.5389
|
| 19 |
+
S 46.1041 75.3127 42.5409
|
| 20 |
+
S 46.0776 75.3255 42.5087
|
| 21 |
+
S 46.1361 75.3486 42.4742
|
| 22 |
+
S 46.1942 75.3053 42.5034
|
| 23 |
+
S 46.1965 75.2509 42.5045
|
| 24 |
+
S 46.2352 75.2309 42.5735
|
| 25 |
+
S 46.3419 75.2275 42.5567
|
| 26 |
+
S 46.4823 75.3898 42.5244
|
| 27 |
+
S 46.6118 75.5992 42.4560
|
| 28 |
+
S 46.6531 75.8151 42.3926
|
| 29 |
+
S 46.5749 76.1619 42.3424
|
| 30 |
+
S 46.3861 76.5486 42.3534
|
| 31 |
+
S 46.2318 76.9848 42.3845
|
| 32 |
+
S 46.1253 77.3510 42.3883
|
| 33 |
+
S 46.0496 77.5507 42.2956
|
| 34 |
+
S 46.0309 77.6810 42.2300
|
| 35 |
+
S 46.0542 77.8053 42.1723
|
| 36 |
+
S 46.0713 77.8111 42.0898
|
| 37 |
+
S 46.1604 77.7800 42.0541
|
| 38 |
+
S 46.1848 77.7521 42.0531
|
| 39 |
+
S 46.1978 77.7044 42.0685
|
| 40 |
+
S 46.2707 77.7002 42.1428
|
| 41 |
+
S 46.4050 77.6690 42.1809
|
| 42 |
+
S 46.5035 77.6468 42.3376
|
| 43 |
+
S 46.5143 77.5105 42.4294
|
| 44 |
+
S 46.4523 77.3726 42.4302
|
| 45 |
+
S 46.4167 77.3448 42.3761
|
| 46 |
+
S 46.3743 77.4767 42.3435
|
| 47 |
+
S 46.4143 77.5923 42.3080
|
| 48 |
+
S 46.5199 77.7470 42.3306
|
| 49 |
+
S 46.5644 77.9278 42.3594
|
| 50 |
+
S 46.6064 78.1161 42.4850
|
| 51 |
+
S 46.5828 78.2664 42.5980
|
| 52 |
+
S 46.5270 78.4655 42.7519
|
| 53 |
+
S 46.4898 78.6594 42.7452
|
| 54 |
+
S 46.5798 78.7664 42.5740
|
5iub_ligand_native_245/MCpath16.xyz
ADDED
|
@@ -0,0 +1,45 @@
|
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| 1 |
+
43
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| 2 |
+
43
|
| 3 |
+
S 46.4319 75.0764 42.8706
|
| 4 |
+
S 46.4751 75.0718 42.9001
|
| 5 |
+
S 46.4943 75.1160 42.8794
|
| 6 |
+
S 46.4636 75.1768 42.8106
|
| 7 |
+
S 46.4411 75.2797 42.8003
|
| 8 |
+
S 46.3986 75.3475 42.8127
|
| 9 |
+
S 46.2915 75.4044 42.8459
|
| 10 |
+
S 46.2389 75.3546 42.7261
|
| 11 |
+
S 46.2234 75.3278 42.6549
|
| 12 |
+
S 46.2883 75.3285 42.6838
|
| 13 |
+
S 46.2481 75.3829 42.6551
|
| 14 |
+
S 46.1976 75.4625 42.6241
|
| 15 |
+
S 46.2228 75.5686 42.5632
|
| 16 |
+
S 46.2664 75.7319 42.5442
|
| 17 |
+
S 46.2638 75.8539 42.5274
|
| 18 |
+
S 46.2753 75.9583 42.5224
|
| 19 |
+
S 46.4139 76.1139 42.4899
|
| 20 |
+
S 46.5912 76.3416 42.3647
|
| 21 |
+
S 46.7074 76.5722 42.3607
|
| 22 |
+
S 46.7656 76.7135 42.4044
|
| 23 |
+
S 46.7789 76.7388 42.3859
|
| 24 |
+
S 46.7540 76.6984 42.3795
|
| 25 |
+
S 46.6994 76.6809 42.3632
|
| 26 |
+
S 46.6211 76.6885 42.3336
|
| 27 |
+
S 46.5115 76.7835 42.3447
|
| 28 |
+
S 46.3722 76.8787 42.3592
|
| 29 |
+
S 46.2139 76.9537 42.3887
|
| 30 |
+
S 46.1272 77.0494 42.3654
|
| 31 |
+
S 46.1110 77.0835 42.4002
|
| 32 |
+
S 46.0533 77.1245 42.3139
|
| 33 |
+
S 46.0498 77.1626 42.2444
|
| 34 |
+
S 46.0760 77.1881 42.1905
|
| 35 |
+
S 46.1195 77.3072 42.1927
|
| 36 |
+
S 46.1565 77.4053 42.2346
|
| 37 |
+
S 46.2951 77.5053 42.1947
|
| 38 |
+
S 46.4317 77.6855 42.0982
|
| 39 |
+
S 46.5386 77.8725 41.9523
|
| 40 |
+
S 46.6118 77.9658 41.7910
|
| 41 |
+
S 46.6305 78.0301 41.6161
|
| 42 |
+
S 46.5508 78.1868 41.4431
|
| 43 |
+
S 46.4210 78.4270 41.3232
|
| 44 |
+
S 46.2318 78.6457 41.2344
|
| 45 |
+
S 45.9859 78.8000 41.1051
|
5iub_ligand_native_245/MCpath17.xyz
ADDED
|
@@ -0,0 +1,42 @@
|
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|
| 1 |
+
40
|
| 2 |
+
40
|
| 3 |
+
S 46.4884 75.6765 42.6587
|
| 4 |
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S 46.5161 75.5967 42.6397
|
| 5 |
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S 46.5843 75.4888 42.6762
|
| 6 |
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S 46.6553 75.3860 42.7095
|
| 7 |
+
S 46.7177 75.3060 42.7049
|
| 8 |
+
S 46.6360 75.3026 42.7091
|
| 9 |
+
S 46.4834 75.3474 42.7294
|
| 10 |
+
S 46.3234 75.4228 42.7333
|
| 11 |
+
S 46.1870 75.5538 42.6929
|
| 12 |
+
S 46.1349 75.7101 42.7196
|
| 13 |
+
S 46.1308 75.8470 42.7973
|
| 14 |
+
S 46.1481 75.9853 42.7865
|
| 15 |
+
S 46.2582 76.1054 42.6882
|
| 16 |
+
S 46.4333 76.2612 42.6179
|
| 17 |
+
S 46.5071 76.4159 42.5428
|
| 18 |
+
S 46.5406 76.5542 42.4987
|
| 19 |
+
S 46.5302 76.7213 42.4351
|
| 20 |
+
S 46.4894 76.8612 42.4160
|
| 21 |
+
S 46.4398 77.0132 42.4209
|
| 22 |
+
S 46.3836 77.1372 42.3765
|
| 23 |
+
S 46.3231 77.3005 42.3483
|
| 24 |
+
S 46.2367 77.4120 42.2832
|
| 25 |
+
S 46.1614 77.5536 42.2079
|
| 26 |
+
S 46.1277 77.6778 42.1421
|
| 27 |
+
S 46.1409 77.7837 42.0274
|
| 28 |
+
S 46.1657 77.7931 41.9853
|
| 29 |
+
S 46.2266 77.7025 41.9789
|
| 30 |
+
S 46.2951 77.5855 42.0134
|
| 31 |
+
S 46.3124 77.4846 42.0656
|
| 32 |
+
S 46.2852 77.4388 42.1416
|
| 33 |
+
S 46.2787 77.4666 42.2011
|
| 34 |
+
S 46.2814 77.6146 42.2078
|
| 35 |
+
S 46.2976 77.7566 42.2019
|
| 36 |
+
S 46.3277 77.8867 42.2111
|
| 37 |
+
S 46.2766 77.9826 42.2686
|
| 38 |
+
S 46.2248 78.0510 42.3053
|
| 39 |
+
S 46.2693 78.2029 42.3482
|
| 40 |
+
S 46.3738 78.4322 42.4007
|
| 41 |
+
S 46.5399 78.6670 42.3907
|
| 42 |
+
S 46.7586 78.7956 42.3288
|
5iub_ligand_native_245/MCpath18.xyz
ADDED
|
@@ -0,0 +1,40 @@
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|
| 1 |
+
38
|
| 2 |
+
38
|
| 3 |
+
S 46.7429 75.3865 42.5816
|
| 4 |
+
S 46.7938 75.3402 42.6704
|
| 5 |
+
S 46.7802 75.3044 42.6657
|
| 6 |
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S 46.8349 75.3184 42.6394
|
| 7 |
+
S 46.8303 75.4320 42.6587
|
| 8 |
+
S 46.7844 75.5868 42.6648
|
| 9 |
+
S 46.6224 75.6780 42.6272
|
| 10 |
+
S 46.4595 75.7539 42.5570
|
| 11 |
+
S 46.2993 75.8201 42.4433
|
| 12 |
+
S 46.1406 75.9297 42.4408
|
| 13 |
+
S 46.1235 75.9910 42.4651
|
| 14 |
+
S 46.1841 76.0000 42.4402
|
| 15 |
+
S 46.2273 76.0265 42.4263
|
| 16 |
+
S 46.2851 76.0970 42.4753
|
| 17 |
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S 46.3358 76.2026 42.5018
|
| 18 |
+
S 46.3976 76.3293 42.4376
|
| 19 |
+
S 46.5042 76.4602 42.3197
|
| 20 |
+
S 46.5795 76.7048 42.2305
|
| 21 |
+
S 46.5816 76.9222 42.2060
|
| 22 |
+
S 46.5070 77.1274 42.2794
|
| 23 |
+
S 46.4063 77.2636 42.3953
|
| 24 |
+
S 46.3886 77.4166 42.4209
|
| 25 |
+
S 46.3755 77.6149 42.4162
|
| 26 |
+
S 46.3128 77.8036 42.3437
|
| 27 |
+
S 46.3145 77.9042 42.2132
|
| 28 |
+
S 46.3595 78.0053 41.9867
|
| 29 |
+
S 46.3422 78.1361 41.7712
|
| 30 |
+
S 46.3450 78.0845 41.5359
|
| 31 |
+
S 46.3946 78.1130 41.4542
|
| 32 |
+
S 46.4894 78.1988 41.4213
|
| 33 |
+
S 46.5250 78.2208 41.3846
|
| 34 |
+
S 46.5188 78.2436 41.3609
|
| 35 |
+
S 46.4933 78.2270 41.4766
|
| 36 |
+
S 46.4460 78.3124 41.7127
|
| 37 |
+
S 46.4375 78.3941 41.7852
|
| 38 |
+
S 46.4789 78.5199 41.7321
|
| 39 |
+
S 46.4568 78.6452 41.5756
|
| 40 |
+
S 46.4262 78.8205 41.4804
|
5iub_ligand_native_245/MCpath19.xyz
ADDED
|
@@ -0,0 +1,69 @@
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|
| 1 |
+
67
|
| 2 |
+
67
|
| 3 |
+
S 46.6260 75.5695 42.6204
|
| 4 |
+
S 46.6333 75.5937 42.5451
|
| 5 |
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S 46.6458 75.5839 42.4497
|
| 6 |
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S 46.5624 75.4990 42.3536
|
| 7 |
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S 46.4275 75.4679 42.2953
|
| 8 |
+
S 46.3291 75.4954 42.3445
|
| 9 |
+
S 46.2461 75.5541 42.4337
|
| 10 |
+
S 46.2545 75.6204 42.5157
|
| 11 |
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S 46.3430 75.6853 42.5496
|
| 12 |
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S 46.4945 75.7083 42.6069
|
| 13 |
+
S 46.5527 75.7078 42.7282
|
| 14 |
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S 46.5062 75.7137 42.7590
|
| 15 |
+
S 46.4854 75.6667 42.7194
|
| 16 |
+
S 46.4142 75.5726 42.6613
|
| 17 |
+
S 46.3771 75.5159 42.6348
|
| 18 |
+
S 46.4080 75.4567 42.6775
|
| 19 |
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S 46.4706 75.3865 42.7349
|
| 20 |
+
S 46.6065 75.2432 42.7419
|
| 21 |
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S 46.6401 75.0355 42.7850
|
| 22 |
+
S 46.5570 74.9727 42.8290
|
| 23 |
+
S 46.4373 74.9597 42.7999
|
| 24 |
+
S 46.4346 74.9836 42.7585
|
| 25 |
+
S 46.4719 74.9997 42.6420
|
| 26 |
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S 46.4897 75.0526 42.5428
|
| 27 |
+
S 46.4329 75.1305 42.5061
|
| 28 |
+
S 46.3522 75.2279 42.5014
|
| 29 |
+
S 46.3383 75.3203 42.5287
|
| 30 |
+
S 46.3199 75.3599 42.5808
|
| 31 |
+
S 46.3661 75.4053 42.6742
|
| 32 |
+
S 46.4827 75.4524 42.6893
|
| 33 |
+
S 46.5217 75.4835 42.6467
|
| 34 |
+
S 46.4852 75.5340 42.6391
|
| 35 |
+
S 46.4697 75.6141 42.6428
|
| 36 |
+
S 46.4251 75.7106 42.6119
|
| 37 |
+
S 46.3485 75.8002 42.5617
|
| 38 |
+
S 46.3045 76.0230 42.4869
|
| 39 |
+
S 46.2307 76.4236 42.4270
|
| 40 |
+
S 46.2729 76.8870 42.4054
|
| 41 |
+
S 46.3539 77.2271 42.3499
|
| 42 |
+
S 46.4130 77.5197 42.2218
|
| 43 |
+
S 46.5401 77.7917 42.1479
|
| 44 |
+
S 46.6721 77.8844 42.1530
|
| 45 |
+
S 46.7043 77.9175 42.1345
|
| 46 |
+
S 46.6867 77.9160 42.0734
|
| 47 |
+
S 46.7117 77.8876 41.9189
|
| 48 |
+
S 46.6448 77.8879 41.7935
|
| 49 |
+
S 46.6181 77.9518 41.7893
|
| 50 |
+
S 46.5882 78.0164 41.8234
|
| 51 |
+
S 46.5644 78.1390 41.8986
|
| 52 |
+
S 46.5462 78.2539 41.9949
|
| 53 |
+
S 46.4489 78.3671 42.0952
|
| 54 |
+
S 46.3563 78.4573 42.1940
|
| 55 |
+
S 46.3404 78.4969 42.3489
|
| 56 |
+
S 46.4322 78.4553 42.4959
|
| 57 |
+
S 46.6183 78.3725 42.5351
|
| 58 |
+
S 46.7034 78.2640 42.6332
|
| 59 |
+
S 46.6092 78.2191 42.7404
|
| 60 |
+
S 46.4789 78.1686 42.6940
|
| 61 |
+
S 46.4443 78.1486 42.6967
|
| 62 |
+
S 46.4139 78.1449 42.6802
|
| 63 |
+
S 46.4872 78.1269 42.6478
|
| 64 |
+
S 46.5643 78.1017 42.6078
|
| 65 |
+
S 46.6259 78.1592 42.5987
|
| 66 |
+
S 46.7613 78.3238 42.5334
|
| 67 |
+
S 46.8867 78.4997 42.4887
|
| 68 |
+
S 46.9422 78.6527 42.4598
|
| 69 |
+
S 47.0569 78.8006 42.4253
|
5iub_ligand_native_245/MCpath2.xyz
ADDED
|
@@ -0,0 +1,50 @@
|
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| 1 |
+
48
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| 2 |
+
48
|
| 3 |
+
S 46.5359 75.4146 42.6736
|
| 4 |
+
S 46.5270 75.5052 42.5940
|
| 5 |
+
S 46.5644 75.6397 42.5898
|
| 6 |
+
S 46.5794 75.7456 42.5432
|
| 7 |
+
S 46.5504 75.8217 42.5126
|
| 8 |
+
S 46.5645 75.8925 42.5954
|
| 9 |
+
S 46.6275 75.9319 42.6216
|
| 10 |
+
S 46.6811 75.9376 42.6189
|
| 11 |
+
S 46.6164 75.9980 42.6082
|
| 12 |
+
S 46.5971 76.1734 42.5379
|
| 13 |
+
S 46.6469 76.3415 42.4671
|
| 14 |
+
S 46.6893 76.4832 42.4115
|
| 15 |
+
S 46.7281 76.5636 42.3091
|
| 16 |
+
S 46.7539 76.6297 42.2092
|
| 17 |
+
S 46.6796 76.6742 42.1556
|
| 18 |
+
S 46.5062 76.7408 42.1092
|
| 19 |
+
S 46.3594 76.9417 42.0023
|
| 20 |
+
S 46.1905 77.0768 41.9393
|
| 21 |
+
S 46.0736 77.2212 41.9180
|
| 22 |
+
S 45.9581 77.3756 41.8500
|
| 23 |
+
S 45.7964 77.4766 41.7895
|
| 24 |
+
S 45.5897 77.5028 41.7001
|
| 25 |
+
S 45.3510 77.4675 41.6266
|
| 26 |
+
S 45.2195 77.3352 41.5554
|
| 27 |
+
S 45.1533 77.1935 41.4073
|
| 28 |
+
S 45.1402 77.0708 41.2232
|
| 29 |
+
S 45.1499 77.0033 41.1562
|
| 30 |
+
S 45.1975 76.9647 41.1853
|
| 31 |
+
S 45.2075 76.9397 41.2130
|
| 32 |
+
S 45.1557 76.9212 41.3031
|
| 33 |
+
S 45.0899 76.9630 41.2789
|
| 34 |
+
S 45.0661 77.0324 41.2343
|
| 35 |
+
S 45.0602 77.0580 41.1683
|
| 36 |
+
S 45.0658 77.1098 41.1358
|
| 37 |
+
S 45.1498 77.2240 41.1646
|
| 38 |
+
S 45.1199 77.3682 41.1654
|
| 39 |
+
S 45.0812 77.4407 41.1189
|
| 40 |
+
S 45.1322 77.4449 41.1680
|
| 41 |
+
S 45.1174 77.3707 41.2213
|
| 42 |
+
S 45.1008 77.3211 41.3025
|
| 43 |
+
S 45.1311 77.3808 41.3972
|
| 44 |
+
S 45.2044 77.5422 41.4508
|
| 45 |
+
S 45.4259 77.7065 41.4753
|
| 46 |
+
S 45.6125 77.8360 41.3603
|
| 47 |
+
S 45.7380 78.0170 41.3598
|
| 48 |
+
S 45.8246 78.2634 41.2949
|
| 49 |
+
S 45.9207 78.6148 41.3215
|
| 50 |
+
S 45.9774 78.9435 41.3125
|
5iub_ligand_native_245/MCpath20.xyz
ADDED
|
@@ -0,0 +1,42 @@
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| 1 |
+
40
|
| 2 |
+
40
|
| 3 |
+
S 46.6657 74.9822 42.7184
|
| 4 |
+
S 46.6414 75.0286 42.7511
|
| 5 |
+
S 46.6214 75.0480 42.7414
|
| 6 |
+
S 46.6348 75.0705 42.7338
|
| 7 |
+
S 46.6385 75.0955 42.7047
|
| 8 |
+
S 46.6628 75.1811 42.6307
|
| 9 |
+
S 46.7023 75.3287 42.6083
|
| 10 |
+
S 46.7321 75.4455 42.6221
|
| 11 |
+
S 46.7679 75.5622 42.5687
|
| 12 |
+
S 46.8279 75.6316 42.4771
|
| 13 |
+
S 46.8029 75.7086 42.3652
|
| 14 |
+
S 46.7243 75.8524 42.2303
|
| 15 |
+
S 46.6772 76.0471 42.1932
|
| 16 |
+
S 46.6026 76.1792 42.2045
|
| 17 |
+
S 46.5220 76.2733 42.2608
|
| 18 |
+
S 46.4457 76.3627 42.3053
|
| 19 |
+
S 46.3032 76.4805 42.3816
|
| 20 |
+
S 46.2670 76.5442 42.5101
|
| 21 |
+
S 46.3778 76.5944 42.4946
|
| 22 |
+
S 46.4347 76.6582 42.4289
|
| 23 |
+
S 46.4520 76.7675 42.3169
|
| 24 |
+
S 46.4834 76.9405 42.2094
|
| 25 |
+
S 46.5466 77.1546 42.1734
|
| 26 |
+
S 46.5656 77.3055 42.1657
|
| 27 |
+
S 46.5345 77.4064 42.1794
|
| 28 |
+
S 46.4893 77.4510 42.2713
|
| 29 |
+
S 46.3230 77.4879 42.4115
|
| 30 |
+
S 46.1971 77.5205 42.4664
|
| 31 |
+
S 46.1216 77.5845 42.4302
|
| 32 |
+
S 46.0996 77.6423 42.3860
|
| 33 |
+
S 46.1133 77.7024 42.3177
|
| 34 |
+
S 46.2059 77.7647 42.1895
|
| 35 |
+
S 46.2082 77.8277 42.1564
|
| 36 |
+
S 46.1715 77.9259 42.1723
|
| 37 |
+
S 46.1567 78.0490 42.1516
|
| 38 |
+
S 46.1213 78.1813 42.1360
|
| 39 |
+
S 46.2039 78.3343 42.1348
|
| 40 |
+
S 46.2839 78.4727 42.1109
|
| 41 |
+
S 46.4168 78.6276 42.0918
|
| 42 |
+
S 46.5929 78.7805 42.0663
|
5iub_ligand_native_245/MCpath21.xyz
ADDED
|
@@ -0,0 +1,45 @@
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|
| 1 |
+
43
|
| 2 |
+
43
|
| 3 |
+
S 46.7013 75.3279 42.7986
|
| 4 |
+
S 46.6013 75.3777 42.7220
|
| 5 |
+
S 46.5772 75.4634 42.6887
|
| 6 |
+
S 46.6409 75.5742 42.7186
|
| 7 |
+
S 46.7493 75.6592 42.7225
|
| 8 |
+
S 46.7932 75.6913 42.6845
|
| 9 |
+
S 46.7537 75.6006 42.6149
|
| 10 |
+
S 46.6606 75.4821 42.5483
|
| 11 |
+
S 46.6005 75.3736 42.4994
|
| 12 |
+
S 46.5353 75.3315 42.5518
|
| 13 |
+
S 46.4772 75.1970 42.6517
|
| 14 |
+
S 46.5042 75.1184 42.7138
|
| 15 |
+
S 46.5793 75.1068 42.7633
|
| 16 |
+
S 46.6121 75.2254 42.8432
|
| 17 |
+
S 46.6623 75.3457 42.8760
|
| 18 |
+
S 46.6804 75.4026 42.8490
|
| 19 |
+
S 46.6091 75.5665 42.8005
|
| 20 |
+
S 46.4862 75.7336 42.7298
|
| 21 |
+
S 46.4200 75.8829 42.6333
|
| 22 |
+
S 46.3883 76.0813 42.5802
|
| 23 |
+
S 46.3741 76.3052 42.5730
|
| 24 |
+
S 46.3050 76.6269 42.5416
|
| 25 |
+
S 46.2312 76.9282 42.3398
|
| 26 |
+
S 46.1695 77.1140 42.1979
|
| 27 |
+
S 46.2973 77.2088 42.1913
|
| 28 |
+
S 46.4316 77.2446 42.2144
|
| 29 |
+
S 46.4341 77.2664 42.1946
|
| 30 |
+
S 46.5002 77.2726 42.1167
|
| 31 |
+
S 46.5750 77.2578 42.1360
|
| 32 |
+
S 46.6332 77.2879 42.1833
|
| 33 |
+
S 46.6632 77.3982 42.1714
|
| 34 |
+
S 46.6688 77.5847 42.2119
|
| 35 |
+
S 46.6280 77.7369 42.2530
|
| 36 |
+
S 46.5943 77.8654 42.2615
|
| 37 |
+
S 46.6696 77.8811 42.1811
|
| 38 |
+
S 46.8399 77.8337 42.0833
|
| 39 |
+
S 46.8898 77.8688 42.0376
|
| 40 |
+
S 46.8569 77.9862 42.1042
|
| 41 |
+
S 46.7917 78.1669 42.1558
|
| 42 |
+
S 46.7879 78.3410 42.0610
|
| 43 |
+
S 46.8263 78.5135 41.8942
|
| 44 |
+
S 46.8870 78.6015 41.6535
|
| 45 |
+
S 46.8149 78.7214 41.5611
|
5iub_ligand_native_245/MCpath22.xyz
ADDED
|
@@ -0,0 +1,53 @@
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|
| 1 |
+
51
|
| 2 |
+
51
|
| 3 |
+
S 46.3974 75.3296 42.9090
|
| 4 |
+
S 46.4139 75.3983 42.8932
|
| 5 |
+
S 46.4555 75.4865 42.8566
|
| 6 |
+
S 46.4785 75.5590 42.8340
|
| 7 |
+
S 46.4721 75.6225 42.7970
|
| 8 |
+
S 46.4204 75.6596 42.7149
|
| 9 |
+
S 46.3868 75.6565 42.6265
|
| 10 |
+
S 46.3571 75.6201 42.5774
|
| 11 |
+
S 46.3873 75.5889 42.6095
|
| 12 |
+
S 46.4427 75.5130 42.6430
|
| 13 |
+
S 46.4238 75.5101 42.4932
|
| 14 |
+
S 46.3883 75.5256 42.4496
|
| 15 |
+
S 46.3693 75.4953 42.5334
|
| 16 |
+
S 46.3580 75.4042 42.6510
|
| 17 |
+
S 46.3199 75.3609 42.6776
|
| 18 |
+
S 46.2548 75.3114 42.5579
|
| 19 |
+
S 46.2572 75.3163 42.4867
|
| 20 |
+
S 46.3304 75.3349 42.6136
|
| 21 |
+
S 46.3756 75.2978 42.6935
|
| 22 |
+
S 46.4619 75.3122 42.6221
|
| 23 |
+
S 46.5638 75.2817 42.5627
|
| 24 |
+
S 46.7174 75.2515 42.5612
|
| 25 |
+
S 46.7348 75.3097 42.5287
|
| 26 |
+
S 46.6642 75.3853 42.4310
|
| 27 |
+
S 46.6446 75.4823 42.3823
|
| 28 |
+
S 46.5954 75.6216 42.3170
|
| 29 |
+
S 46.5041 75.8041 42.2797
|
| 30 |
+
S 46.4290 76.0330 42.2265
|
| 31 |
+
S 46.3770 76.3695 42.2706
|
| 32 |
+
S 46.3475 76.8120 42.4126
|
| 33 |
+
S 46.2667 77.1463 42.4185
|
| 34 |
+
S 46.1628 77.4099 42.4212
|
| 35 |
+
S 46.0423 77.6490 42.3812
|
| 36 |
+
S 46.0950 77.7992 42.3936
|
| 37 |
+
S 46.1600 77.8515 42.2687
|
| 38 |
+
S 46.2642 77.8451 42.1339
|
| 39 |
+
S 46.3240 77.8715 42.0420
|
| 40 |
+
S 46.4174 77.9342 41.9499
|
| 41 |
+
S 46.5547 77.9520 41.8664
|
| 42 |
+
S 46.7289 78.0041 41.7424
|
| 43 |
+
S 46.8915 78.1100 41.6185
|
| 44 |
+
S 46.9465 78.2210 41.4962
|
| 45 |
+
S 46.9281 78.3029 41.4274
|
| 46 |
+
S 46.9176 78.3747 41.4268
|
| 47 |
+
S 46.8055 78.3276 41.5072
|
| 48 |
+
S 46.5656 78.2948 41.4700
|
| 49 |
+
S 46.3906 78.2822 41.3600
|
| 50 |
+
S 46.3351 78.3269 41.3401
|
| 51 |
+
S 46.3442 78.4478 41.3796
|
| 52 |
+
S 46.3768 78.5880 41.3872
|
| 53 |
+
S 46.3972 78.7415 41.3386
|
5iub_ligand_native_245/MCpath23.xyz
ADDED
|
@@ -0,0 +1,58 @@
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|
| 1 |
+
56
|
| 2 |
+
56
|
| 3 |
+
S 46.5856 75.2924 42.7646
|
| 4 |
+
S 46.5117 75.3693 42.7207
|
| 5 |
+
S 46.4843 75.4678 42.5707
|
| 6 |
+
S 46.3991 75.5589 42.4803
|
| 7 |
+
S 46.3235 75.6667 42.4744
|
| 8 |
+
S 46.2956 75.7120 42.4775
|
| 9 |
+
S 46.2962 75.6856 42.4319
|
| 10 |
+
S 46.3511 75.6758 42.4121
|
| 11 |
+
S 46.4457 75.6595 42.4521
|
| 12 |
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S 46.5056 75.6220 42.6152
|
| 13 |
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S 46.5706 75.5860 42.7744
|
| 14 |
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S 46.6577 75.5568 42.8001
|
| 15 |
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S 46.6982 75.4913 42.7370
|
| 16 |
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S 46.6515 75.4970 42.6851
|
| 17 |
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S 46.6143 75.5054 42.6276
|
| 18 |
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S 46.6192 75.5150 42.5562
|
| 19 |
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S 46.5179 75.5085 42.4820
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| 20 |
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| 21 |
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|
| 22 |
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S 46.1043 75.5849 42.4312
|
| 23 |
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S 46.0454 75.6186 42.5383
|
| 24 |
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S 46.0484 75.5339 42.6538
|
| 25 |
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S 46.1515 75.4506 42.6692
|
| 26 |
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S 46.2934 75.3131 42.6316
|
| 27 |
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S 46.3986 75.2156 42.7355
|
| 28 |
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S 46.4841 75.1818 42.7616
|
| 29 |
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S 46.5677 75.1182 42.7770
|
| 30 |
+
S 46.6194 75.1793 42.8299
|
| 31 |
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S 46.5972 75.3575 42.7838
|
| 32 |
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S 46.5590 75.4808 42.7095
|
| 33 |
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S 46.5093 75.5475 42.6424
|
| 34 |
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S 46.5202 75.6460 42.6761
|
| 35 |
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S 46.5625 75.7725 42.7147
|
| 36 |
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S 46.5014 76.0134 42.7986
|
| 37 |
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S 46.4156 76.3807 42.7327
|
| 38 |
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S 46.3421 76.7221 42.5663
|
| 39 |
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S 46.2649 77.0374 42.4707
|
| 40 |
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S 46.2516 77.2492 42.3743
|
| 41 |
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S 46.2117 77.4462 42.2604
|
| 42 |
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S 46.2395 77.6608 42.2068
|
| 43 |
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S 46.3072 77.8410 42.1645
|
| 44 |
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S 46.2852 77.9421 42.0673
|
| 45 |
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S 46.2580 77.9644 42.0129
|
| 46 |
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S 46.3369 77.8896 42.0431
|
| 47 |
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S 46.4674 77.8770 42.0630
|
| 48 |
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S 46.5696 77.9462 42.0979
|
| 49 |
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S 46.7239 77.9769 42.1618
|
| 50 |
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S 46.8666 78.0196 42.1633
|
| 51 |
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S 46.9420 78.0186 42.1043
|
| 52 |
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S 46.8912 78.1020 42.0795
|
| 53 |
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S 46.8194 78.2301 42.1242
|
| 54 |
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|
| 55 |
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S 46.8812 78.1727 42.1273
|
| 56 |
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S 46.8963 78.2449 42.1729
|
| 57 |
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S 46.8030 78.4433 42.1999
|
| 58 |
+
S 46.6528 78.7310 42.3119
|
5iub_ligand_native_245/MCpath24.xyz
ADDED
|
@@ -0,0 +1,110 @@
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|
| 1 |
+
108
|
| 2 |
+
108
|
| 3 |
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S 46.6559 75.7212 42.6740
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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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S 46.7157 76.0412 42.4983
|
| 10 |
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|
| 11 |
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|
| 12 |
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S 46.5455 76.4771 42.4328
|
| 13 |
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|
| 14 |
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S 46.3474 76.5952 42.3112
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| 15 |
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| 16 |
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| 17 |
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S 46.4598 76.3690 42.5144
|
| 18 |
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S 46.5080 76.2591 42.6897
|
| 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 46.3452 75.5654 42.7116
|
| 24 |
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S 46.3532 75.3485 42.7804
|
| 25 |
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| 26 |
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| 27 |
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| 28 |
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S 46.3335 74.5669 42.7544
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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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| 47 |
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| 48 |
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| 49 |
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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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| 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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S 48.1080 75.4787 43.3762
|
| 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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| 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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S 47.1677 78.5469 41.8589
|
| 95 |
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S 47.1039 78.3779 41.7933
|
| 96 |
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S 47.0765 78.2603 41.7389
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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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| 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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|
5iub_ligand_native_245/MCpath25.xyz
ADDED
|
@@ -0,0 +1,75 @@
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| 1 |
+
73
|
| 2 |
+
73
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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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| 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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| 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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| 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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|
5iub_ligand_native_245/MCpath26.xyz
ADDED
|
@@ -0,0 +1,141 @@
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|
| 1 |
+
139
|
| 2 |
+
139
|
| 3 |
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S 46.7216 75.4993 42.7417
|
| 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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|
| 27 |
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S 47.1464 76.5144 42.3510
|
| 28 |
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S 47.1692 76.7459 42.3335
|
| 29 |
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S 47.1632 76.9390 42.3128
|
| 30 |
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S 47.1174 77.0773 42.3145
|
| 31 |
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S 47.1045 77.2258 42.3087
|
| 32 |
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S 47.0200 77.3977 42.3250
|
| 33 |
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S 46.9110 77.4649 42.2364
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| 34 |
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S 46.7789 77.5238 42.1747
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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S 45.8632 77.6976 42.1448
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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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S 45.2086 77.4783 41.4795
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| 44 |
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S 45.1746 77.4571 41.4572
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| 45 |
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| 46 |
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| 47 |
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S 45.2420 77.0299 41.3791
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| 48 |
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| 49 |
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| 50 |
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S 45.1402 76.3742 41.2547
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| 51 |
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| 52 |
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S 45.2346 75.8476 41.4661
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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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S 45.1403 73.6815 41.8570
|
| 61 |
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S 45.1076 73.5038 41.8550
|
| 62 |
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S 45.1428 73.2777 41.8647
|
| 63 |
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S 45.2155 72.9692 41.8932
|
| 64 |
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S 45.3163 72.7444 41.8258
|
| 65 |
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S 45.3593 72.5889 41.8027
|
| 66 |
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S 45.3962 72.4406 41.8033
|
| 67 |
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S 45.4294 72.3444 41.8305
|
| 68 |
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S 45.4307 72.3579 41.8030
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| 69 |
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S 45.4484 72.4674 41.7857
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| 70 |
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S 45.3365 72.5696 41.7011
|
| 71 |
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S 45.1529 72.6552 41.5803
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| 72 |
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S 45.0517 72.7877 41.5773
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| 73 |
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S 44.9909 72.9486 41.6311
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| 74 |
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S 44.8928 73.1201 41.6742
|
| 75 |
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S 44.8114 73.2459 41.7464
|
| 76 |
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S 44.6862 73.3834 41.7090
|
| 77 |
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S 44.6069 73.4859 41.6364
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| 78 |
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S 44.5884 73.5999 41.6125
|
| 79 |
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S 44.5623 73.6943 41.6070
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| 80 |
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S 44.5014 73.6800 41.7258
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| 81 |
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S 44.5540 73.6755 41.8924
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| 82 |
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S 44.5352 73.6132 41.9723
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| 83 |
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S 44.4740 73.5278 42.0226
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| 84 |
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S 44.4514 73.4254 42.1637
|
| 85 |
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S 44.4492 73.2764 42.2611
|
| 86 |
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S 44.4477 73.1550 42.2664
|
| 87 |
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S 44.4901 73.0878 42.3929
|
| 88 |
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S 44.6151 73.0005 42.5235
|
| 89 |
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S 44.6712 73.0033 42.6090
|
| 90 |
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S 44.6916 72.9890 42.7228
|
| 91 |
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S 44.7222 73.0025 42.8549
|
| 92 |
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S 44.7375 73.0193 42.8785
|
| 93 |
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S 44.7372 73.0785 42.7516
|
| 94 |
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S 44.7183 73.1627 42.5171
|
| 95 |
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S 44.6267 73.3486 42.4820
|
| 96 |
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S 44.4719 73.5895 42.4913
|
| 97 |
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S 44.3439 73.7295 42.5028
|
| 98 |
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S 44.2057 73.8147 42.5440
|
| 99 |
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S 44.0017 74.0537 42.5065
|
| 100 |
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S 43.9140 74.3437 42.4588
|
| 101 |
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S 43.7770 74.6320 42.3544
|
| 102 |
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S 43.6663 74.8288 42.1665
|
| 103 |
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S 43.5934 74.9853 41.9935
|
| 104 |
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S 43.4287 75.0638 41.9359
|
| 105 |
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S 43.3246 75.0840 41.8635
|
| 106 |
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S 43.2682 75.1196 41.7694
|
| 107 |
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S 43.2752 75.1621 41.6736
|
| 108 |
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S 43.3032 75.1497 41.5943
|
| 109 |
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S 43.2800 75.1718 41.5070
|
| 110 |
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S 43.2841 75.1582 41.4704
|
| 111 |
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S 43.3341 75.2388 41.4608
|
| 112 |
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S 43.3550 75.3566 41.4998
|
| 113 |
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S 43.3510 75.4720 41.5292
|
| 114 |
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S 43.3104 75.6359 41.5678
|
| 115 |
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S 43.2846 75.8426 41.5916
|
| 116 |
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S 43.3197 76.1068 41.6308
|
| 117 |
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S 43.3865 76.3879 41.7674
|
| 118 |
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S 43.5365 76.6341 41.8742
|
| 119 |
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S 43.6470 76.8232 41.9532
|
| 120 |
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S 43.7308 76.9382 41.9261
|
| 121 |
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S 43.7020 77.0001 41.8253
|
| 122 |
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S 43.7165 76.9601 41.6796
|
| 123 |
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S 43.7308 76.8532 41.4943
|
| 124 |
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S 43.7342 76.7335 41.2873
|
| 125 |
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S 43.7443 76.6873 41.2427
|
| 126 |
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S 43.7764 76.6610 41.2366
|
| 127 |
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S 43.8844 76.6435 41.2562
|
| 128 |
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S 43.9034 76.6492 41.2863
|
| 129 |
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S 43.8572 76.6591 41.3432
|
| 130 |
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S 43.8312 76.7004 41.3457
|
| 131 |
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S 43.7873 76.7564 41.3317
|
| 132 |
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S 43.8147 76.7882 41.3205
|
| 133 |
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S 43.7082 76.9309 41.3139
|
| 134 |
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S 43.6197 77.1578 41.4573
|
| 135 |
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S 43.6328 77.3274 41.4357
|
| 136 |
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S 43.6928 77.5598 41.4669
|
| 137 |
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S 43.7571 77.8552 41.4593
|
| 138 |
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S 43.7889 78.1555 41.3506
|
| 139 |
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S 43.8150 78.3834 41.3181
|
| 140 |
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S 43.8404 78.5504 41.2596
|
| 141 |
+
S 43.8709 78.7193 41.3018
|
5iub_ligand_native_245/MCpath27.xyz
ADDED
|
@@ -0,0 +1,67 @@
|
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|
|
|
|
|
|
| 1 |
+
65
|
| 2 |
+
65
|
| 3 |
+
S 46.4951 75.3044 42.5060
|
| 4 |
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S 46.5051 75.3424 42.5044
|
| 5 |
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S 46.5474 75.3960 42.5281
|
| 6 |
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S 46.6117 75.4371 42.5560
|
| 7 |
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S 46.6812 75.4208 42.5473
|
| 8 |
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S 46.6187 75.3531 42.5656
|
| 9 |
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S 46.5128 75.2723 42.5187
|
| 10 |
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S 46.4166 75.2728 42.4580
|
| 11 |
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S 46.3744 75.2563 42.4544
|
| 12 |
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S 46.3607 75.2912 42.4562
|
| 13 |
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S 46.3843 75.2775 42.4725
|
| 14 |
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S 46.4119 75.2611 42.4654
|
| 15 |
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S 46.4454 75.2856 42.4086
|
| 16 |
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S 46.4083 75.3316 42.4741
|
| 17 |
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S 46.3327 75.3456 42.5751
|
| 18 |
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S 46.3342 75.4184 42.6650
|
| 19 |
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S 46.3394 75.5242 42.7120
|
| 20 |
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S 46.3082 75.5839 42.6540
|
| 21 |
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S 46.2385 75.6164 42.6269
|
| 22 |
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S 46.2723 75.6511 42.6762
|
| 23 |
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S 46.3380 75.7032 42.6546
|
| 24 |
+
S 46.4096 75.7004 42.6804
|
| 25 |
+
S 46.3926 75.6576 42.6681
|
| 26 |
+
S 46.3766 75.5676 42.6442
|
| 27 |
+
S 46.3965 75.5094 42.5744
|
| 28 |
+
S 46.4383 75.5079 42.5229
|
| 29 |
+
S 46.4513 75.5054 42.5080
|
| 30 |
+
S 46.4614 75.5425 42.5937
|
| 31 |
+
S 46.5743 75.6577 42.7880
|
| 32 |
+
S 46.6806 75.6180 42.7649
|
| 33 |
+
S 46.6740 75.5060 42.6744
|
| 34 |
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S 46.6511 75.4908 42.7211
|
| 35 |
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S 46.6520 75.5296 42.7729
|
| 36 |
+
S 46.6234 75.5446 42.7905
|
| 37 |
+
S 46.5090 75.5305 42.6363
|
| 38 |
+
S 46.4599 75.4670 42.4813
|
| 39 |
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S 46.3657 75.4687 42.3340
|
| 40 |
+
S 46.2660 75.4720 42.3235
|
| 41 |
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S 46.2272 75.4563 42.3527
|
| 42 |
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S 46.2462 75.4839 42.3840
|
| 43 |
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S 46.2845 75.5333 42.4554
|
| 44 |
+
S 46.3540 75.5161 42.5382
|
| 45 |
+
S 46.5392 75.4604 42.5706
|
| 46 |
+
S 46.7365 75.3869 42.5199
|
| 47 |
+
S 46.7839 75.3252 42.5271
|
| 48 |
+
S 46.7220 75.2937 42.5646
|
| 49 |
+
S 46.6295 75.2154 42.5322
|
| 50 |
+
S 46.4884 75.1648 42.4598
|
| 51 |
+
S 46.3993 75.1805 42.5216
|
| 52 |
+
S 46.3615 75.1857 42.5233
|
| 53 |
+
S 46.4016 75.1668 42.4466
|
| 54 |
+
S 46.4609 75.2267 42.3726
|
| 55 |
+
S 46.5268 75.3273 42.2435
|
| 56 |
+
S 46.5496 75.4369 42.2291
|
| 57 |
+
S 46.6088 75.5467 42.2628
|
| 58 |
+
S 46.6530 75.6165 42.4082
|
| 59 |
+
S 46.6655 75.6338 42.5231
|
| 60 |
+
S 46.6445 75.7081 42.5979
|
| 61 |
+
S 46.6061 75.8629 42.5934
|
| 62 |
+
S 46.6445 76.3969 42.6317
|
| 63 |
+
S 46.6239 77.1930 42.6103
|
| 64 |
+
S 46.5139 77.9118 42.5066
|
| 65 |
+
S 46.3928 78.3775 42.4091
|
| 66 |
+
S 46.3121 78.6404 42.3398
|
| 67 |
+
S 46.3116 78.7889 42.1484
|
5iub_ligand_native_245/MCpath28.xyz
ADDED
|
@@ -0,0 +1,67 @@
|
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|
| 1 |
+
65
|
| 2 |
+
65
|
| 3 |
+
S 46.3689 75.3706 42.7671
|
| 4 |
+
S 46.3140 75.4071 42.7440
|
| 5 |
+
S 46.3477 75.4164 42.7352
|
| 6 |
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S 46.4198 75.4622 42.6844
|
| 7 |
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S 46.4325 75.5457 42.6818
|
| 8 |
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S 46.4171 75.5691 42.6381
|
| 9 |
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S 46.3855 75.5292 42.6263
|
| 10 |
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S 46.3649 75.4642 42.6217
|
| 11 |
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S 46.3321 75.4233 42.5863
|
| 12 |
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S 46.3502 75.4383 42.5597
|
| 13 |
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S 46.3502 75.4658 42.5393
|
| 14 |
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S 46.4074 75.4994 42.5211
|
| 15 |
+
S 46.5127 75.5218 42.4831
|
| 16 |
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S 46.6545 75.5152 42.4841
|
| 17 |
+
S 46.7759 75.5077 42.4746
|
| 18 |
+
S 46.8409 75.5353 42.5159
|
| 19 |
+
S 46.9053 75.6068 42.7022
|
| 20 |
+
S 46.8837 75.6285 42.7303
|
| 21 |
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S 46.7448 75.5946 42.6746
|
| 22 |
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S 46.6099 75.6144 42.6590
|
| 23 |
+
S 46.5075 75.5932 42.6881
|
| 24 |
+
S 46.4198 75.5696 42.7237
|
| 25 |
+
S 46.3185 75.5390 42.6580
|
| 26 |
+
S 46.2359 75.5481 42.5875
|
| 27 |
+
S 46.2427 75.6210 42.6210
|
| 28 |
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S 46.3347 75.5932 42.5925
|
| 29 |
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S 46.4003 75.6348 42.4575
|
| 30 |
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S 46.4083 75.6316 42.2837
|
| 31 |
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S 46.3724 75.6100 42.2391
|
| 32 |
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S 46.3524 75.5321 42.3229
|
| 33 |
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S 46.3314 75.4292 42.4359
|
| 34 |
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S 46.3990 75.3694 42.5762
|
| 35 |
+
S 46.4413 75.3006 42.6728
|
| 36 |
+
S 46.5102 75.1922 42.7563
|
| 37 |
+
S 46.5760 75.0640 42.8559
|
| 38 |
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S 46.6343 75.0557 42.9218
|
| 39 |
+
S 46.7074 75.0502 42.8784
|
| 40 |
+
S 46.7192 75.1324 42.7808
|
| 41 |
+
S 46.7659 75.2198 42.6057
|
| 42 |
+
S 46.8327 75.2889 42.3460
|
| 43 |
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S 46.7931 75.3925 42.3097
|
| 44 |
+
S 46.6917 75.5208 42.4002
|
| 45 |
+
S 46.6014 75.6574 42.4522
|
| 46 |
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S 46.5701 75.8902 42.4378
|
| 47 |
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S 46.5716 76.3428 42.3948
|
| 48 |
+
S 46.5398 76.8778 42.3593
|
| 49 |
+
S 46.4452 77.2909 42.2790
|
| 50 |
+
S 46.3093 77.6452 42.2144
|
| 51 |
+
S 46.2000 77.9916 42.0793
|
| 52 |
+
S 46.3120 78.1733 41.9068
|
| 53 |
+
S 46.5362 78.3209 41.7598
|
| 54 |
+
S 46.6776 78.4244 41.7131
|
| 55 |
+
S 46.6151 78.4792 41.7461
|
| 56 |
+
S 46.5443 78.4130 41.8307
|
| 57 |
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S 46.3667 78.2645 41.8452
|
| 58 |
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S 46.3120 78.0878 41.8837
|
| 59 |
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S 46.3381 77.9034 41.9606
|
| 60 |
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S 46.3524 77.7754 41.8559
|
| 61 |
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S 46.3605 77.7910 41.7566
|
| 62 |
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S 46.3028 77.8740 41.7057
|
| 63 |
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S 46.2346 77.9942 41.7577
|
| 64 |
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S 46.1376 78.1329 41.7484
|
| 65 |
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S 46.0029 78.3685 41.6550
|
| 66 |
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S 45.8511 78.6789 41.5492
|
| 67 |
+
S 45.7069 78.8827 41.4933
|
5iub_ligand_native_245/MCpath29.xyz
ADDED
|
@@ -0,0 +1,64 @@
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|
| 1 |
+
62
|
| 2 |
+
62
|
| 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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S 46.4380 75.4559 42.8166
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| 14 |
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S 46.2924 75.5127 42.7685
|
| 15 |
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|
| 16 |
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S 46.2857 75.5884 42.7680
|
| 17 |
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|
| 18 |
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S 46.3912 75.6018 42.6567
|
| 19 |
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S 46.4168 75.5308 42.4779
|
| 20 |
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S 46.4386 75.5593 42.4401
|
| 21 |
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S 46.4722 75.6142 42.4821
|
| 22 |
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S 46.5256 75.7090 42.4883
|
| 23 |
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|
| 24 |
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S 46.5574 76.1172 42.5227
|
| 25 |
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S 46.5849 76.3708 42.5526
|
| 26 |
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S 46.6209 76.7502 42.6247
|
| 27 |
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S 46.6490 76.9315 42.6492
|
| 28 |
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S 46.5979 77.0095 42.6735
|
| 29 |
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S 46.5239 77.0708 42.5802
|
| 30 |
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S 46.5052 77.1404 42.4477
|
| 31 |
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S 46.4671 77.2673 42.3909
|
| 32 |
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S 46.4184 77.3814 42.3061
|
| 33 |
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S 46.3494 77.5400 42.2112
|
| 34 |
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S 46.2835 77.6144 42.1654
|
| 35 |
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S 46.1962 77.7346 42.1089
|
| 36 |
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S 46.0929 77.8310 42.0714
|
| 37 |
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S 46.0479 77.8762 42.1633
|
| 38 |
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S 46.0708 77.7799 42.1788
|
| 39 |
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S 46.2031 77.6776 42.1484
|
| 40 |
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S 46.3535 77.6520 42.2212
|
| 41 |
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S 46.4840 77.7160 42.2771
|
| 42 |
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S 46.7033 77.8188 42.3118
|
| 43 |
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S 46.9653 77.9327 42.4091
|
| 44 |
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S 47.2366 78.0080 42.4227
|
| 45 |
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S 47.3558 78.0947 42.3503
|
| 46 |
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S 47.3928 78.1985 42.1948
|
| 47 |
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S 47.4491 78.3650 42.1135
|
| 48 |
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S 47.5201 78.5383 42.0228
|
| 49 |
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S 47.6049 78.6850 42.0010
|
| 50 |
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S 47.8008 78.7794 42.0052
|
| 51 |
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S 47.8394 78.8086 41.9069
|
| 52 |
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S 47.6877 78.7547 41.8028
|
| 53 |
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S 47.5566 78.7398 41.6383
|
| 54 |
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S 47.4727 78.7972 41.6884
|
| 55 |
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S 47.3829 78.9044 41.7855
|
| 56 |
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S 47.3521 79.0287 41.8782
|
| 57 |
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S 47.3421 79.1482 41.8850
|
| 58 |
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S 47.3481 79.2691 41.7814
|
| 59 |
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S 47.3157 79.4035 41.7009
|
| 60 |
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S 47.2526 79.4911 41.6435
|
| 61 |
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S 47.2173 79.5500 41.5833
|
| 62 |
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S 47.1706 79.5705 41.4452
|
| 63 |
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S 47.1262 79.6545 41.2799
|
| 64 |
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S 47.0732 79.7812 41.1490
|
5iub_ligand_native_245/MCpath3.xyz
ADDED
|
@@ -0,0 +1,52 @@
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|
| 1 |
+
50
|
| 2 |
+
50
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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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S 46.5834 75.5740 42.6503
|
| 8 |
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S 46.5525 75.6240 42.7015
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| 9 |
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| 10 |
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S 46.5356 75.6354 42.6685
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| 11 |
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| 12 |
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| 13 |
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S 46.5346 75.4231 42.7636
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| 14 |
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S 46.4700 75.3772 42.7958
|
| 15 |
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|
| 16 |
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S 46.3627 75.2025 42.5214
|
| 17 |
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|
| 18 |
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S 46.2668 75.2243 42.4035
|
| 19 |
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S 46.3425 75.4208 42.5586
|
| 20 |
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S 46.3035 75.5722 42.6005
|
| 21 |
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S 46.2653 75.6662 42.5989
|
| 22 |
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S 46.3442 75.7397 42.6269
|
| 23 |
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S 46.3774 75.9058 42.6782
|
| 24 |
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S 46.4016 76.0843 42.7769
|
| 25 |
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S 46.4190 76.2760 42.7838
|
| 26 |
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S 46.4658 76.5090 42.6724
|
| 27 |
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S 46.4517 76.7504 42.6122
|
| 28 |
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S 46.4588 76.8965 42.6080
|
| 29 |
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S 46.5379 76.9959 42.5954
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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S 46.3151 77.1781 42.5190
|
| 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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S 46.4968 77.7541 42.3144
|
| 39 |
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S 46.5559 77.8416 42.2642
|
| 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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S 46.3775 78.1573 42.2523
|
| 48 |
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S 46.2311 78.3558 42.1888
|
| 49 |
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S 46.1944 78.4889 42.1030
|
| 50 |
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|
| 51 |
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|
| 52 |
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5iub_ligand_native_245/MCpath30.xyz
ADDED
|
@@ -0,0 +1,52 @@
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| 1 |
+
50
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| 2 |
+
50
|
| 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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S 46.6614 75.5598 42.5748
|
| 8 |
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S 46.6766 75.4995 42.5747
|
| 9 |
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S 46.6895 75.4690 42.6277
|
| 10 |
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S 46.6314 75.4791 42.6498
|
| 11 |
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| 12 |
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|
| 13 |
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S 46.4574 75.4353 42.5598
|
| 14 |
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S 46.3868 75.3886 42.4930
|
| 15 |
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S 46.3532 75.3583 42.4605
|
| 16 |
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S 46.3175 75.3564 42.4808
|
| 17 |
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S 46.2636 75.2664 42.4667
|
| 18 |
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S 46.3541 75.1681 42.5937
|
| 19 |
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S 46.4128 75.1065 42.7163
|
| 20 |
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S 46.3118 75.0631 42.6792
|
| 21 |
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S 46.2809 75.1526 42.6312
|
| 22 |
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S 46.3150 75.3192 42.6617
|
| 23 |
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S 46.3396 75.5383 42.7030
|
| 24 |
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S 46.3051 75.7422 42.6709
|
| 25 |
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|
| 26 |
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S 46.1756 76.1689 42.5401
|
| 27 |
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S 46.1490 76.4103 42.4482
|
| 28 |
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S 46.1604 76.7593 42.3351
|
| 29 |
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S 46.1116 77.0153 42.2316
|
| 30 |
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S 46.0382 77.1442 42.1832
|
| 31 |
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S 46.0387 77.2357 42.1818
|
| 32 |
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S 45.9937 77.2968 42.2223
|
| 33 |
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S 45.9603 77.3208 42.2661
|
| 34 |
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S 45.8847 77.2569 42.2629
|
| 35 |
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S 45.8060 77.0885 42.2634
|
| 36 |
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S 45.8131 77.0139 42.3135
|
| 37 |
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S 45.7095 76.9700 42.3670
|
| 38 |
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S 45.5579 76.9045 42.4426
|
| 39 |
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S 45.3765 76.8635 42.4499
|
| 40 |
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S 45.3455 76.8419 42.4364
|
| 41 |
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S 45.4044 76.9443 42.4581
|
| 42 |
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S 45.4404 77.1047 42.4685
|
| 43 |
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S 45.4743 77.3017 42.4510
|
| 44 |
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S 45.5226 77.4749 42.4079
|
| 45 |
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S 45.5153 77.6716 42.3282
|
| 46 |
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S 45.4732 77.8934 42.2408
|
| 47 |
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S 45.4897 78.0595 42.0870
|
| 48 |
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S 45.6071 78.2282 41.9758
|
| 49 |
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S 45.7278 78.3212 41.8811
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
5iub_ligand_native_245/MCpath31.xyz
ADDED
|
@@ -0,0 +1,73 @@
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| 1 |
+
71
|
| 2 |
+
71
|
| 3 |
+
S 46.4339 75.4455 42.5802
|
| 4 |
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S 46.5172 75.4898 42.6072
|
| 5 |
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S 46.5505 75.5247 42.6054
|
| 6 |
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S 46.5797 75.5517 42.6070
|
| 7 |
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S 46.5970 75.5883 42.6150
|
| 8 |
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S 46.5344 75.6547 42.6136
|
| 9 |
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|
| 10 |
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|
| 11 |
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S 46.3709 75.6696 42.6315
|
| 12 |
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S 46.3844 75.5931 42.6295
|
| 13 |
+
S 46.3963 75.4599 42.6469
|
| 14 |
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S 46.4454 75.3143 42.6006
|
| 15 |
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S 46.4595 75.2782 42.6064
|
| 16 |
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S 46.4755 75.2903 42.6241
|
| 17 |
+
S 46.4374 75.2866 42.6756
|
| 18 |
+
S 46.3500 75.2855 42.7150
|
| 19 |
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S 46.2632 75.2677 42.7193
|
| 20 |
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S 46.2011 75.2279 42.6658
|
| 21 |
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S 46.2164 75.2484 42.5564
|
| 22 |
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S 46.2221 75.2955 42.4741
|
| 23 |
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S 46.3454 75.4440 42.4150
|
| 24 |
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S 46.5181 75.6107 42.3706
|
| 25 |
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S 46.6401 75.7543 42.3675
|
| 26 |
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S 46.7190 75.9185 42.3737
|
| 27 |
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S 46.7958 76.0762 42.3747
|
| 28 |
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S 46.8775 76.3077 42.3800
|
| 29 |
+
S 46.8129 76.5686 42.4015
|
| 30 |
+
S 46.7162 76.8283 42.3491
|
| 31 |
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S 46.6698 77.0622 42.2811
|
| 32 |
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S 46.6435 77.2532 42.2442
|
| 33 |
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S 46.6118 77.3908 42.2035
|
| 34 |
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S 46.5561 77.4499 42.2087
|
| 35 |
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S 46.5745 77.4467 42.2119
|
| 36 |
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S 46.5587 77.4292 42.1328
|
| 37 |
+
S 46.5857 77.4960 42.1086
|
| 38 |
+
S 46.6324 77.5825 42.1056
|
| 39 |
+
S 46.5606 77.7250 42.0953
|
| 40 |
+
S 46.4291 77.9097 42.0310
|
| 41 |
+
S 46.3250 78.0477 41.9314
|
| 42 |
+
S 46.1787 78.1442 41.8098
|
| 43 |
+
S 46.0655 78.2137 41.7224
|
| 44 |
+
S 45.9813 78.2283 41.7314
|
| 45 |
+
S 45.8927 78.2475 41.7129
|
| 46 |
+
S 45.6715 78.2113 41.6939
|
| 47 |
+
S 45.4269 78.1617 41.6689
|
| 48 |
+
S 45.1860 78.0217 41.7114
|
| 49 |
+
S 45.0500 77.9116 41.6748
|
| 50 |
+
S 44.9653 77.7935 41.6284
|
| 51 |
+
S 44.8964 77.6440 41.6451
|
| 52 |
+
S 44.8465 77.4937 41.6619
|
| 53 |
+
S 44.6650 77.4129 41.6255
|
| 54 |
+
S 44.5143 77.3207 41.4612
|
| 55 |
+
S 44.3511 77.2206 41.4848
|
| 56 |
+
S 44.2091 77.1205 41.5640
|
| 57 |
+
S 44.1642 77.0012 41.7121
|
| 58 |
+
S 44.1689 76.9720 41.8464
|
| 59 |
+
S 44.1818 77.0177 41.8064
|
| 60 |
+
S 44.2201 77.0703 41.8069
|
| 61 |
+
S 44.3092 77.0640 41.8447
|
| 62 |
+
S 44.4204 77.0592 41.8027
|
| 63 |
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S 44.4663 77.0889 41.7667
|
| 64 |
+
S 44.4001 77.1915 41.7616
|
| 65 |
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S 44.3171 77.3913 41.7512
|
| 66 |
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S 44.2319 77.5782 41.6928
|
| 67 |
+
S 44.2294 77.6853 41.6689
|
| 68 |
+
S 44.3119 77.7509 41.6841
|
| 69 |
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S 44.4391 77.8733 41.6851
|
| 70 |
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S 44.5400 78.0910 41.7161
|
| 71 |
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S 44.6277 78.3753 41.7472
|
| 72 |
+
S 44.5969 78.6005 41.7264
|
| 73 |
+
S 44.6112 78.7940 41.6739
|
5iub_ligand_native_245/MCpath32.xyz
ADDED
|
@@ -0,0 +1,58 @@
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| 1 |
+
56
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| 2 |
+
56
|
| 3 |
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S 46.7673 75.1650 42.8774
|
| 4 |
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| 5 |
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|
| 6 |
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|
| 7 |
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S 46.8502 75.6249 42.7912
|
| 8 |
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S 46.8970 75.7138 42.7620
|
| 9 |
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S 46.9562 75.7384 42.6804
|
| 10 |
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S 47.0129 75.6792 42.5723
|
| 11 |
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S 47.0873 75.6088 42.5588
|
| 12 |
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S 47.1559 75.5807 42.5417
|
| 13 |
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S 47.2410 75.5989 42.5637
|
| 14 |
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S 47.3227 75.5924 42.5719
|
| 15 |
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S 47.4074 75.6079 42.5171
|
| 16 |
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S 47.4665 75.6370 42.5675
|
| 17 |
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S 47.4285 75.6842 42.6568
|
| 18 |
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S 47.4362 75.6688 42.7299
|
| 19 |
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S 47.3887 75.5713 42.7034
|
| 20 |
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S 47.3561 75.4092 42.6886
|
| 21 |
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S 47.3362 75.3190 42.7397
|
| 22 |
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S 47.3087 75.2946 42.8008
|
| 23 |
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S 47.3099 75.2841 42.8627
|
| 24 |
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S 47.2908 75.2716 42.8086
|
| 25 |
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S 47.2674 75.3186 42.6432
|
| 26 |
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S 47.3657 75.4007 42.4954
|
| 27 |
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S 47.5563 75.4829 42.3537
|
| 28 |
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S 47.7449 75.5660 42.1779
|
| 29 |
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S 47.8213 75.6544 42.1658
|
| 30 |
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S 47.8165 75.6816 42.1935
|
| 31 |
+
S 47.7771 75.7668 42.3279
|
| 32 |
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S 47.6519 75.9251 42.3505
|
| 33 |
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S 47.6062 76.1218 42.3946
|
| 34 |
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S 47.5276 76.3620 42.2929
|
| 35 |
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S 47.3974 76.7011 42.2039
|
| 36 |
+
S 47.3040 77.0252 42.2394
|
| 37 |
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S 47.2356 77.3025 42.2872
|
| 38 |
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S 47.2349 77.5626 42.2003
|
| 39 |
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S 47.1720 77.7761 42.2022
|
| 40 |
+
S 47.0930 77.9299 42.1786
|
| 41 |
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S 47.0737 77.9550 42.1293
|
| 42 |
+
S 47.0381 77.8371 42.0970
|
| 43 |
+
S 46.9192 77.6773 42.1357
|
| 44 |
+
S 46.7291 77.6282 42.2580
|
| 45 |
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S 46.6176 77.6462 42.3986
|
| 46 |
+
S 46.5716 77.7079 42.3950
|
| 47 |
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S 46.5538 77.7770 42.3444
|
| 48 |
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S 46.5139 77.7593 42.3562
|
| 49 |
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S 46.4844 77.8064 42.3636
|
| 50 |
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S 46.4078 77.8121 42.3796
|
| 51 |
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S 46.3302 77.8340 42.3184
|
| 52 |
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S 46.3411 77.8724 42.2822
|
| 53 |
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S 46.2968 77.9659 42.3869
|
| 54 |
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S 46.1877 78.1357 42.2910
|
| 55 |
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S 46.1422 78.3554 42.2309
|
| 56 |
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S 46.1488 78.5591 42.1665
|
| 57 |
+
S 46.1593 78.6573 42.0531
|
| 58 |
+
S 46.1916 78.7175 42.0052
|
5iub_ligand_native_245/MCpath33.xyz
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
+
57
|
| 2 |
+
57
|
| 3 |
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|
| 4 |
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S 46.5519 75.5298 42.6176
|
| 5 |
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S 46.6021 75.5598 42.6300
|
| 6 |
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S 46.6819 75.6046 42.5612
|
| 7 |
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S 46.7897 75.6279 42.4636
|
| 8 |
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S 46.8783 75.6584 42.4374
|
| 9 |
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S 46.8729 75.6982 42.4544
|
| 10 |
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S 46.8551 75.7054 42.4637
|
| 11 |
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S 46.7663 75.6677 42.4919
|
| 12 |
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S 46.6215 75.5922 42.5705
|
| 13 |
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S 46.4815 75.4944 42.6187
|
| 14 |
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S 46.3709 75.3203 42.6647
|
| 15 |
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S 46.2028 75.2098 42.6553
|
| 16 |
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S 46.1284 75.1016 42.5769
|
| 17 |
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S 46.1478 74.9305 42.5497
|
| 18 |
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S 46.2050 74.8566 42.5456
|
| 19 |
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S 46.2529 74.8538 42.6091
|
| 20 |
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S 46.3067 74.9266 42.7302
|
| 21 |
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S 46.3540 75.0514 42.7586
|
| 22 |
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S 46.3677 75.2378 42.7542
|
| 23 |
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S 46.3106 75.3097 42.7316
|
| 24 |
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S 46.2605 75.3031 42.6595
|
| 25 |
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S 46.2964 75.3046 42.5352
|
| 26 |
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S 46.3551 75.3798 42.4634
|
| 27 |
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S 46.4244 75.4685 42.3809
|
| 28 |
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S 46.4858 75.6088 42.3496
|
| 29 |
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S 46.5274 75.6549 42.4052
|
| 30 |
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S 46.5939 75.6494 42.4209
|
| 31 |
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S 46.7182 75.7150 42.4235
|
| 32 |
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S 46.7721 75.7052 42.4677
|
| 33 |
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S 46.7495 75.6057 42.5169
|
| 34 |
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S 46.7420 75.6136 42.5782
|
| 35 |
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S 46.6068 75.6740 42.6738
|
| 36 |
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S 46.4939 75.7901 42.6900
|
| 37 |
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S 46.4507 76.1070 42.6674
|
| 38 |
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S 46.3654 76.5708 42.6166
|
| 39 |
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S 46.3328 77.0044 42.5642
|
| 40 |
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S 46.3271 77.3334 42.4306
|
| 41 |
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S 46.2439 77.5419 42.3069
|
| 42 |
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S 46.1483 77.7629 42.1900
|
| 43 |
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S 46.1579 77.9099 42.1665
|
| 44 |
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S 46.2671 77.9754 42.0385
|
| 45 |
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S 46.4886 78.0321 41.9369
|
| 46 |
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S 46.5909 78.1001 41.9315
|
| 47 |
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S 46.5684 78.0886 41.9155
|
| 48 |
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S 46.5599 78.0273 41.9122
|
| 49 |
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S 46.5351 77.9975 41.8791
|
| 50 |
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S 46.5328 77.9736 41.7700
|
| 51 |
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S 46.4760 77.9844 41.6388
|
| 52 |
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S 46.3288 77.9805 41.5814
|
| 53 |
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S 46.2620 78.1203 41.6382
|
| 54 |
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S 46.2683 78.2865 41.6150
|
| 55 |
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S 46.3763 78.4067 41.4743
|
| 56 |
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S 46.5063 78.4893 41.3670
|
| 57 |
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S 46.5644 78.5583 41.3681
|
| 58 |
+
S 46.5603 78.6562 41.4591
|
| 59 |
+
S 46.5043 78.7621 41.4750
|
5iub_ligand_native_245/MCpath34.xyz
ADDED
|
@@ -0,0 +1,71 @@
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|
| 1 |
+
69
|
| 2 |
+
69
|
| 3 |
+
S 46.7624 75.5132 42.5476
|
| 4 |
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S 46.7358 75.5715 42.5523
|
| 5 |
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S 46.7211 75.5812 42.5592
|
| 6 |
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S 46.7249 75.5018 42.5145
|
| 7 |
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S 46.7256 75.4030 42.4423
|
| 8 |
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S 46.6571 75.3698 42.4856
|
| 9 |
+
S 46.5858 75.4281 42.5713
|
| 10 |
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S 46.5217 75.4957 42.6188
|
| 11 |
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S 46.4257 75.5056 42.5592
|
| 12 |
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S 46.3830 75.5401 42.5439
|
| 13 |
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S 46.4050 75.5312 42.6343
|
| 14 |
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S 46.3778 75.5607 42.7340
|
| 15 |
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S 46.3626 75.5737 42.8086
|
| 16 |
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S 46.3410 75.5499 42.8692
|
| 17 |
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S 46.3602 75.5190 42.8728
|
| 18 |
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S 46.5336 75.4090 42.7580
|
| 19 |
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S 46.6754 75.3629 42.7252
|
| 20 |
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S 46.6933 75.3780 42.7557
|
| 21 |
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S 46.7349 75.4555 42.8336
|
| 22 |
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S 46.7970 75.5575 42.8609
|
| 23 |
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S 46.7359 75.6155 42.9117
|
| 24 |
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S 46.5642 75.6448 42.8991
|
| 25 |
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S 46.3509 75.6743 42.8834
|
| 26 |
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S 46.1543 75.6550 42.7988
|
| 27 |
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S 46.0179 75.5159 42.6440
|
| 28 |
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S 45.8846 75.4020 42.4928
|
| 29 |
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S 45.6171 75.3474 42.3937
|
| 30 |
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S 45.4183 75.3231 42.3781
|
| 31 |
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S 45.1552 75.3164 42.3735
|
| 32 |
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S 44.9121 75.3252 42.3148
|
| 33 |
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S 44.7657 75.3348 42.3394
|
| 34 |
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S 44.7293 75.2895 42.4277
|
| 35 |
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S 44.6799 75.1996 42.5812
|
| 36 |
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S 44.7546 75.1217 42.7363
|
| 37 |
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S 44.7116 75.0905 42.8627
|
| 38 |
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S 44.5704 75.1917 43.0022
|
| 39 |
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S 44.7087 75.3457 43.1025
|
| 40 |
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S 45.0635 75.5594 43.1500
|
| 41 |
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S 45.3321 75.7423 43.2688
|
| 42 |
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S 45.4970 75.8358 43.3582
|
| 43 |
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S 45.5727 75.9869 43.3780
|
| 44 |
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S 45.6254 76.1539 43.3576
|
| 45 |
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S 45.6179 76.3886 43.2594
|
| 46 |
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S 45.6277 76.6895 43.3070
|
| 47 |
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S 45.5451 76.9796 43.3060
|
| 48 |
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S 45.5422 77.1700 43.1733
|
| 49 |
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S 45.5946 77.3433 43.0546
|
| 50 |
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S 45.6084 77.5170 42.9913
|
| 51 |
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S 45.6670 77.7488 42.8700
|
| 52 |
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S 45.7077 77.9127 42.6363
|
| 53 |
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S 45.6251 77.9953 42.3829
|
| 54 |
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S 45.5552 78.0459 42.2508
|
| 55 |
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S 45.5488 78.1248 42.2136
|
| 56 |
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S 45.4487 78.2082 42.1732
|
| 57 |
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S 45.3667 78.2776 42.1538
|
| 58 |
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S 45.3792 78.2696 42.1826
|
| 59 |
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S 45.4765 78.2166 42.3049
|
| 60 |
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S 45.6821 78.1660 42.3119
|
| 61 |
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S 45.9212 78.1805 42.1952
|
| 62 |
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S 46.1487 78.2118 42.1778
|
| 63 |
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S 46.3238 78.1903 42.2479
|
| 64 |
+
S 46.5057 78.1745 42.2535
|
| 65 |
+
S 46.6270 78.1742 42.2131
|
| 66 |
+
S 46.6654 78.2678 42.3099
|
| 67 |
+
S 46.7058 78.3450 42.4419
|
| 68 |
+
S 46.8113 78.4302 42.6209
|
| 69 |
+
S 46.9130 78.5534 42.7069
|
| 70 |
+
S 47.0612 78.6890 42.5844
|
| 71 |
+
S 47.1168 78.7986 42.3929
|
5iub_ligand_native_245/MCpath35.xyz
ADDED
|
@@ -0,0 +1,42 @@
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|
| 1 |
+
40
|
| 2 |
+
40
|
| 3 |
+
S 46.5710 75.6902 42.6973
|
| 4 |
+
S 46.5036 75.6204 42.5294
|
| 5 |
+
S 46.5058 75.6117 42.4292
|
| 6 |
+
S 46.6024 75.6034 42.4546
|
| 7 |
+
S 46.6741 75.6065 42.4787
|
| 8 |
+
S 46.6859 75.6368 42.4554
|
| 9 |
+
S 46.6606 75.6794 42.5504
|
| 10 |
+
S 46.6718 75.6936 42.6582
|
| 11 |
+
S 46.6433 75.7345 42.7187
|
| 12 |
+
S 46.5446 75.8156 42.7052
|
| 13 |
+
S 46.4568 75.9150 42.6856
|
| 14 |
+
S 46.3587 76.0285 42.6537
|
| 15 |
+
S 46.2603 76.1632 42.5816
|
| 16 |
+
S 46.2268 76.2136 42.6071
|
| 17 |
+
S 46.3014 76.2374 42.5473
|
| 18 |
+
S 46.3907 76.3295 42.4117
|
| 19 |
+
S 46.3977 76.4314 42.3337
|
| 20 |
+
S 46.3647 76.5541 42.3130
|
| 21 |
+
S 46.4743 76.6679 42.4002
|
| 22 |
+
S 46.5429 76.7478 42.4106
|
| 23 |
+
S 46.5028 76.8390 42.4519
|
| 24 |
+
S 46.3968 76.9796 42.3910
|
| 25 |
+
S 46.3811 77.0683 42.2435
|
| 26 |
+
S 46.3327 77.1930 42.1695
|
| 27 |
+
S 46.3218 77.3546 42.1522
|
| 28 |
+
S 46.3686 77.5560 42.1638
|
| 29 |
+
S 46.4752 77.6858 42.1245
|
| 30 |
+
S 46.6183 77.7624 42.1179
|
| 31 |
+
S 46.6482 77.8256 42.1006
|
| 32 |
+
S 46.5595 77.8701 42.0626
|
| 33 |
+
S 46.5240 77.8313 41.9629
|
| 34 |
+
S 46.5379 77.8157 41.8842
|
| 35 |
+
S 46.4433 77.8913 41.9021
|
| 36 |
+
S 46.3880 78.0144 41.9129
|
| 37 |
+
S 46.4292 78.1707 41.9236
|
| 38 |
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S 46.4156 78.3497 41.8983
|
| 39 |
+
S 46.4106 78.5485 41.8392
|
| 40 |
+
S 46.4856 78.6323 41.6971
|
| 41 |
+
S 46.5072 78.6779 41.5441
|
| 42 |
+
S 46.5648 78.7988 41.6175
|
5iub_ligand_native_245/MCpath36.xyz
ADDED
|
@@ -0,0 +1,46 @@
|
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|
| 1 |
+
44
|
| 2 |
+
44
|
| 3 |
+
S 46.7929 74.9767 42.8098
|
| 4 |
+
S 46.7245 75.0468 42.7622
|
| 5 |
+
S 46.6500 75.1442 42.7588
|
| 6 |
+
S 46.6205 75.2443 42.6708
|
| 7 |
+
S 46.6516 75.3394 42.6038
|
| 8 |
+
S 46.6979 75.3620 42.6410
|
| 9 |
+
S 46.7314 75.3455 42.6635
|
| 10 |
+
S 46.7294 75.3425 42.6656
|
| 11 |
+
S 46.6675 75.2948 42.6670
|
| 12 |
+
S 46.5912 75.3073 42.6345
|
| 13 |
+
S 46.5374 75.3782 42.6133
|
| 14 |
+
S 46.5110 75.4764 42.6420
|
| 15 |
+
S 46.4903 75.5466 42.6904
|
| 16 |
+
S 46.3823 75.5801 42.7352
|
| 17 |
+
S 46.3052 75.6217 42.7296
|
| 18 |
+
S 46.2729 75.5801 42.6623
|
| 19 |
+
S 46.2353 75.4867 42.5356
|
| 20 |
+
S 46.1401 75.4832 42.4934
|
| 21 |
+
S 46.1001 75.6214 42.5732
|
| 22 |
+
S 46.1131 75.7363 42.6551
|
| 23 |
+
S 46.1696 75.8577 42.6259
|
| 24 |
+
S 46.2597 76.0531 42.5875
|
| 25 |
+
S 46.3128 76.2793 42.4950
|
| 26 |
+
S 46.3774 76.5890 42.4864
|
| 27 |
+
S 46.3921 76.7775 42.4904
|
| 28 |
+
S 46.4401 76.9414 42.5343
|
| 29 |
+
S 46.5078 77.0922 42.5433
|
| 30 |
+
S 46.5763 77.1393 42.4877
|
| 31 |
+
S 46.7606 77.2100 42.4334
|
| 32 |
+
S 46.8718 77.3026 42.3435
|
| 33 |
+
S 46.9343 77.3843 42.3575
|
| 34 |
+
S 46.8648 77.4703 42.4623
|
| 35 |
+
S 46.7778 77.5020 42.5304
|
| 36 |
+
S 46.7391 77.5402 42.5537
|
| 37 |
+
S 46.6980 77.5378 42.5172
|
| 38 |
+
S 46.6002 77.5849 42.4239
|
| 39 |
+
S 46.5549 77.7107 42.3129
|
| 40 |
+
S 46.4964 77.9258 42.2582
|
| 41 |
+
S 46.5114 78.1150 42.1902
|
| 42 |
+
S 46.4730 78.2488 42.0946
|
| 43 |
+
S 46.5132 78.3733 41.9823
|
| 44 |
+
S 46.5800 78.5016 41.8185
|
| 45 |
+
S 46.5065 78.6037 41.6312
|
| 46 |
+
S 46.4523 78.7308 41.6032
|
5iub_ligand_native_245/MCpath37.xyz
ADDED
|
@@ -0,0 +1,81 @@
|
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|
| 1 |
+
79
|
| 2 |
+
79
|
| 3 |
+
S 46.5815 75.4143 42.9222
|
| 4 |
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S 46.5973 75.4463 42.8421
|
| 5 |
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S 46.6225 75.4397 42.7479
|
| 6 |
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S 46.6882 75.4751 42.6860
|
| 7 |
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S 46.5695 75.5439 42.6085
|
| 8 |
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S 46.4184 75.6181 42.5274
|
| 9 |
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S 46.3758 75.6470 42.4970
|
| 10 |
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S 46.3573 75.6821 42.5517
|
| 11 |
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S 46.3629 75.7012 42.6148
|
| 12 |
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S 46.4259 75.6459 42.6168
|
| 13 |
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S 46.5185 75.5534 42.5219
|
| 14 |
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S 46.6464 75.4586 42.4623
|
| 15 |
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S 46.7905 75.3920 42.4143
|
| 16 |
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S 46.7653 75.4069 42.3718
|
| 17 |
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S 46.7143 75.4498 42.4606
|
| 18 |
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S 46.6695 75.3822 42.5216
|
| 19 |
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S 46.6199 75.2875 42.6074
|
| 20 |
+
S 46.5665 75.2349 42.7323
|
| 21 |
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S 46.5174 75.2062 42.8534
|
| 22 |
+
S 46.5006 75.1203 42.9652
|
| 23 |
+
S 46.4563 75.0642 43.0472
|
| 24 |
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S 46.3665 75.0637 43.1499
|
| 25 |
+
S 46.2754 75.0241 43.3094
|
| 26 |
+
S 46.3426 74.9662 43.4132
|
| 27 |
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S 46.4528 74.9203 43.5131
|
| 28 |
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S 46.4726 74.9301 43.5784
|
| 29 |
+
S 46.4085 74.9908 43.6221
|
| 30 |
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S 46.3065 75.0839 43.6354
|
| 31 |
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S 46.2873 75.2221 43.5308
|
| 32 |
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S 46.3732 75.3334 43.4537
|
| 33 |
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S 46.4169 75.4600 43.4032
|
| 34 |
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S 46.4024 75.5958 43.3933
|
| 35 |
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S 46.3042 75.7316 43.4359
|
| 36 |
+
S 46.3043 75.7923 43.4112
|
| 37 |
+
S 46.3025 76.0485 43.3345
|
| 38 |
+
S 46.3162 76.3473 43.1759
|
| 39 |
+
S 46.3830 76.6607 42.9871
|
| 40 |
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S 46.5255 77.1018 42.8679
|
| 41 |
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S 46.6042 77.5177 42.7548
|
| 42 |
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S 46.6481 77.8872 42.6448
|
| 43 |
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S 46.6247 78.1125 42.5613
|
| 44 |
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S 46.5830 78.2724 42.5189
|
| 45 |
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S 46.5938 78.3874 42.4422
|
| 46 |
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S 46.7341 78.3705 42.4000
|
| 47 |
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S 46.8410 78.3363 42.3330
|
| 48 |
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S 46.9199 78.2331 42.2537
|
| 49 |
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S 47.0240 78.1035 42.1977
|
| 50 |
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S 47.2146 78.0207 42.2025
|
| 51 |
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S 47.3827 77.9065 42.1323
|
| 52 |
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S 47.4667 77.9131 42.1749
|
| 53 |
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S 47.5558 77.9629 42.2381
|
| 54 |
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S 47.6997 77.9465 42.2985
|
| 55 |
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S 47.7400 77.9242 42.4096
|
| 56 |
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S 47.7896 77.9711 42.5269
|
| 57 |
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S 47.7569 78.1588 42.5588
|
| 58 |
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S 47.7405 78.2844 42.4741
|
| 59 |
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S 47.7183 78.3419 42.3875
|
| 60 |
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S 47.7137 78.3903 42.3939
|
| 61 |
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S 47.7377 78.3879 42.4127
|
| 62 |
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S 47.7608 78.3721 42.4281
|
| 63 |
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S 47.6728 78.3826 42.3941
|
| 64 |
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S 47.5334 78.3987 42.3246
|
| 65 |
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S 47.5575 78.4572 42.2671
|
| 66 |
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S 47.7028 78.5901 42.2000
|
| 67 |
+
S 47.8462 78.7274 42.1707
|
| 68 |
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S 48.0141 78.8638 42.1557
|
| 69 |
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S 48.2629 78.8984 42.0639
|
| 70 |
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S 48.4069 78.9371 41.9926
|
| 71 |
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S 48.3824 78.9292 41.9315
|
| 72 |
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S 48.3637 78.9214 41.8214
|
| 73 |
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S 48.3187 78.9265 41.6712
|
| 74 |
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S 48.2166 78.9190 41.6215
|
| 75 |
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S 48.1474 78.9183 41.6185
|
| 76 |
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S 48.0439 78.9538 41.5929
|
| 77 |
+
S 47.9374 79.0529 41.6535
|
| 78 |
+
S 47.8912 79.1919 41.7620
|
| 79 |
+
S 47.9021 79.3750 41.7306
|
| 80 |
+
S 47.7865 79.5652 41.7420
|
| 81 |
+
S 47.6262 79.7177 41.6851
|
5iub_ligand_native_245/MCpath38.xyz
ADDED
|
@@ -0,0 +1,40 @@
|
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| 1 |
+
38
|
| 2 |
+
38
|
| 3 |
+
S 46.3607 75.4231 42.7555
|
| 4 |
+
S 46.4356 75.3414 42.8001
|
| 5 |
+
S 46.5081 75.2551 42.8551
|
| 6 |
+
S 46.5480 75.2137 42.7763
|
| 7 |
+
S 46.5696 75.1517 42.7070
|
| 8 |
+
S 46.5750 75.1691 42.7226
|
| 9 |
+
S 46.5050 75.2382 42.7746
|
| 10 |
+
S 46.3588 75.2980 42.7949
|
| 11 |
+
S 46.2222 75.3868 42.7643
|
| 12 |
+
S 46.1358 75.5448 42.6762
|
| 13 |
+
S 46.1543 75.6444 42.6497
|
| 14 |
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S 46.2276 75.6945 42.6507
|
| 15 |
+
S 46.2827 75.7865 42.5370
|
| 16 |
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S 46.3860 75.9810 42.3592
|
| 17 |
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S 46.5183 76.1730 42.2166
|
| 18 |
+
S 46.6729 76.3535 42.1950
|
| 19 |
+
S 46.7876 76.5627 42.2166
|
| 20 |
+
S 46.8189 76.6326 42.2036
|
| 21 |
+
S 46.7806 76.6286 42.2083
|
| 22 |
+
S 46.6388 76.6786 42.3239
|
| 23 |
+
S 46.4371 76.7612 42.4787
|
| 24 |
+
S 46.2644 76.7919 42.5080
|
| 25 |
+
S 46.1346 76.8327 42.5144
|
| 26 |
+
S 46.0863 76.9296 42.5923
|
| 27 |
+
S 46.0730 77.0947 42.6060
|
| 28 |
+
S 46.1072 77.2892 42.5818
|
| 29 |
+
S 46.2309 77.5251 42.4863
|
| 30 |
+
S 46.3563 77.7394 42.2607
|
| 31 |
+
S 46.4542 77.8673 42.0294
|
| 32 |
+
S 46.5362 77.9827 41.8193
|
| 33 |
+
S 46.5747 78.1449 41.6404
|
| 34 |
+
S 46.6188 78.2389 41.4624
|
| 35 |
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S 46.6506 78.3204 41.4462
|
| 36 |
+
S 46.7081 78.4105 41.5245
|
| 37 |
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S 46.7364 78.4808 41.5453
|
| 38 |
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S 46.7456 78.5624 41.4791
|
| 39 |
+
S 46.7751 78.6529 41.4204
|
| 40 |
+
S 46.7420 78.7375 41.4284
|
5iub_ligand_native_245/MCpath39.xyz
ADDED
|
@@ -0,0 +1,75 @@
|
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|
| 1 |
+
73
|
| 2 |
+
73
|
| 3 |
+
S 46.5439 75.2665 42.7227
|
| 4 |
+
S 46.5507 75.3602 42.6660
|
| 5 |
+
S 46.5627 75.4831 42.6095
|
| 6 |
+
S 46.6475 75.5778 42.6141
|
| 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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| 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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S 46.3451 75.5806 42.6599
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| 21 |
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S 46.2961 75.5021 42.6717
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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S 46.2803 74.8844 42.7720
|
| 26 |
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S 46.3632 74.8838 42.8907
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| 27 |
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S 46.3911 74.8705 43.0274
|
| 28 |
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| 29 |
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S 46.4061 74.8725 43.3209
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| 30 |
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S 46.3995 74.8768 43.3821
|
| 31 |
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S 46.5265 74.8639 43.5674
|
| 32 |
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S 46.4674 74.9241 43.7739
|
| 33 |
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S 46.3136 74.9595 43.8799
|
| 34 |
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S 46.2976 74.9966 43.9330
|
| 35 |
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| 36 |
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S 46.3062 75.0395 43.8435
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| 37 |
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S 46.3209 75.0283 43.7818
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| 38 |
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S 46.3087 75.0783 43.8490
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| 39 |
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S 46.2780 75.2652 43.8685
|
| 40 |
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S 46.3181 75.3888 43.8321
|
| 41 |
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S 46.4879 75.4845 43.8675
|
| 42 |
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S 46.6774 75.5949 43.8867
|
| 43 |
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S 46.7029 75.7043 43.8221
|
| 44 |
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S 46.7882 75.8476 43.6537
|
| 45 |
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S 46.8331 76.1885 43.4186
|
| 46 |
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S 46.8303 76.6657 43.1688
|
| 47 |
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S 46.6856 77.0865 42.9174
|
| 48 |
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S 46.5373 77.3752 42.6795
|
| 49 |
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S 46.4029 77.6466 42.5251
|
| 50 |
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S 46.2392 77.8782 42.4098
|
| 51 |
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S 46.1955 77.9255 42.2567
|
| 52 |
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S 46.2041 77.8249 42.0559
|
| 53 |
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S 46.2176 77.7313 41.9399
|
| 54 |
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S 46.2391 77.6755 41.8002
|
| 55 |
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S 46.2322 77.6741 41.7147
|
| 56 |
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S 46.1729 77.6298 41.7196
|
| 57 |
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S 46.0649 77.5240 41.7487
|
| 58 |
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S 45.9962 77.4054 41.8037
|
| 59 |
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S 46.1212 77.2690 41.7955
|
| 60 |
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S 46.3101 77.1687 41.6628
|
| 61 |
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S 46.3906 77.1521 41.5237
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| 62 |
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S 46.5114 77.1576 41.4928
|
| 63 |
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|
| 64 |
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S 46.5139 77.1434 41.7418
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| 65 |
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| 66 |
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|
| 67 |
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| 68 |
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S 46.5715 76.9077 41.7676
|
| 69 |
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S 46.5782 77.0816 41.7563
|
| 70 |
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S 46.5061 77.3452 41.7098
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| 71 |
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| 72 |
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| 73 |
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S 46.4537 78.0101 41.4399
|
| 74 |
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S 46.5113 78.3635 41.5520
|
| 75 |
+
S 46.6141 78.7209 41.4976
|
5iub_ligand_native_245/MCpath4.xyz
ADDED
|
@@ -0,0 +1,42 @@
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| 1 |
+
40
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| 2 |
+
40
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| 3 |
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|
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S 46.5358 75.2459 42.6305
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| 8 |
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S 46.5261 75.1981 42.5961
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| 9 |
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|
| 10 |
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S 46.5671 75.2220 42.6408
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| 11 |
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S 46.5833 75.3014 42.6164
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| 12 |
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S 46.5951 75.3839 42.5885
|
| 13 |
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S 46.5411 75.5383 42.5714
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| 14 |
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S 46.4656 75.6591 42.5846
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| 16 |
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| 17 |
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S 46.3287 76.0393 42.5335
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| 18 |
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|
| 19 |
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S 46.3195 76.3026 42.4640
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| 20 |
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S 46.1872 76.4034 42.3310
|
| 21 |
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S 46.0618 76.5247 42.2507
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| 22 |
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S 46.0824 76.6574 42.1933
|
| 23 |
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S 46.1545 76.7975 42.1851
|
| 24 |
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S 46.2716 76.9833 42.2030
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| 25 |
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S 46.3857 77.1560 42.2168
|
| 26 |
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S 46.4052 77.2676 42.1892
|
| 27 |
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S 46.5125 77.4240 42.1369
|
| 28 |
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S 46.6629 77.6605 42.0864
|
| 29 |
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S 46.6568 77.8294 42.0699
|
| 30 |
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S 46.5301 77.8508 42.1157
|
| 31 |
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S 46.4077 77.8420 42.1797
|
| 32 |
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S 46.3727 77.8131 42.2480
|
| 33 |
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S 46.3342 77.8111 42.2531
|
| 34 |
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|
| 35 |
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|
| 36 |
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S 46.1098 77.8819 42.2900
|
| 37 |
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S 46.0338 77.8874 42.2323
|
| 38 |
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|
| 39 |
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S 46.1842 78.1792 42.1322
|
| 40 |
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S 46.3112 78.3734 42.0723
|
| 41 |
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S 46.4880 78.6279 41.9258
|
| 42 |
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S 46.5908 78.8452 41.8427
|
5iub_ligand_native_245/MCpath40.xyz
ADDED
|
@@ -0,0 +1,68 @@
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| 1 |
+
66
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| 2 |
+
66
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| 9 |
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| 12 |
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| 13 |
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|
| 14 |
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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 46.3538 75.7155 42.7509
|
| 27 |
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S 46.3697 75.7922 42.7437
|
| 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 46.2594 76.8162 42.3105
|
| 33 |
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S 46.2764 77.0419 42.2153
|
| 34 |
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S 46.2456 77.2844 42.1105
|
| 35 |
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|
| 36 |
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|
| 37 |
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S 46.1124 77.7331 41.5884
|
| 38 |
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S 46.1344 77.8063 41.5617
|
| 39 |
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S 46.1644 77.8642 41.5278
|
| 40 |
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S 46.2506 77.8223 41.5271
|
| 41 |
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S 46.2707 77.7627 41.6702
|
| 42 |
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S 46.2583 77.8140 41.7353
|
| 43 |
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S 46.3005 77.8869 41.8182
|
| 44 |
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S 46.3856 78.0513 41.8392
|
| 45 |
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S 46.4944 78.2306 41.8077
|
| 46 |
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S 46.6959 78.3040 41.8084
|
| 47 |
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S 46.8496 78.3693 41.7702
|
| 48 |
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S 46.9459 78.4683 41.6323
|
| 49 |
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S 47.0140 78.6193 41.5573
|
| 50 |
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S 47.0906 78.6992 41.6197
|
| 51 |
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|
| 52 |
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S 47.3568 78.5461 41.5508
|
| 53 |
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S 47.4404 78.4322 41.6034
|
| 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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|
5iub_ligand_native_245/MCpath41.xyz
ADDED
|
@@ -0,0 +1,59 @@
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| 1 |
+
57
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+
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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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S 46.4326 75.2529 42.3070
|
| 13 |
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S 46.3823 75.2950 42.3274
|
| 14 |
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S 46.3875 75.3324 42.3720
|
| 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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S 46.5066 76.6511 42.3608
|
| 25 |
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S 46.4025 76.7218 42.1897
|
| 26 |
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S 46.2623 76.7670 42.0340
|
| 27 |
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S 46.1826 76.8084 41.8921
|
| 28 |
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S 46.1219 76.8977 41.8596
|
| 29 |
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S 46.1185 76.9710 41.8049
|
| 30 |
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S 46.1042 77.1655 41.7558
|
| 31 |
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S 45.9756 77.3863 41.6553
|
| 32 |
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S 45.8310 77.5521 41.6408
|
| 33 |
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S 45.7289 77.7416 41.7339
|
| 34 |
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S 45.7170 77.7583 41.7167
|
| 35 |
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S 45.6940 77.6382 41.5933
|
| 36 |
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S 45.6194 77.5406 41.4851
|
| 37 |
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S 45.4761 77.4468 41.5182
|
| 38 |
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S 45.2800 77.4310 41.6019
|
| 39 |
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S 45.1229 77.3787 41.6437
|
| 40 |
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S 44.9671 77.3040 41.6395
|
| 41 |
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S 44.8294 77.1539 41.4847
|
| 42 |
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S 44.8068 76.9975 41.4519
|
| 43 |
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S 44.6803 76.9547 41.5274
|
| 44 |
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S 44.5848 76.9136 41.5978
|
| 45 |
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S 44.5139 76.9455 41.6036
|
| 46 |
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S 44.4993 77.0434 41.6573
|
| 47 |
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S 44.5147 77.1313 41.6894
|
| 48 |
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S 44.4708 77.1528 41.7150
|
| 49 |
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S 44.3433 77.2016 41.7039
|
| 50 |
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S 44.1856 77.3432 41.7590
|
| 51 |
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|
| 52 |
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|
| 53 |
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S 43.9289 77.8032 41.4646
|
| 54 |
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S 43.9161 77.9606 41.4613
|
| 55 |
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|
| 56 |
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S 43.8305 78.2334 41.4129
|
| 57 |
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S 43.8162 78.4158 41.3866
|
| 58 |
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S 43.9071 78.5728 41.3036
|
| 59 |
+
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|
5iub_ligand_native_245/MCpath42.xyz
ADDED
|
@@ -0,0 +1,57 @@
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| 1 |
+
55
|
| 2 |
+
55
|
| 3 |
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|
| 4 |
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S 46.4823 75.4235 42.6367
|
| 5 |
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|
| 6 |
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|
| 7 |
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S 46.5936 75.4948 42.5445
|
| 8 |
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S 46.5958 75.4748 42.4756
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| 9 |
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S 46.5960 75.4478 42.4746
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| 10 |
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|
| 11 |
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| 12 |
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S 46.5021 75.5248 42.6015
|
| 13 |
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|
| 14 |
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|
| 15 |
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S 46.2503 75.5019 42.6418
|
| 16 |
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|
| 17 |
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|
| 18 |
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S 46.2120 75.1912 42.6824
|
| 19 |
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S 46.3125 75.1960 42.5559
|
| 20 |
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S 46.3899 75.2272 42.5562
|
| 21 |
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S 46.4245 75.2272 42.6795
|
| 22 |
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S 46.5061 75.1704 42.8043
|
| 23 |
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S 46.5717 75.1435 42.7801
|
| 24 |
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S 46.5615 75.1841 42.7549
|
| 25 |
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S 46.5704 75.2382 42.6918
|
| 26 |
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S 46.5964 75.3012 42.6423
|
| 27 |
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S 46.6167 75.4522 42.5938
|
| 28 |
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S 46.6292 75.6011 42.5699
|
| 29 |
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S 46.5962 75.7020 42.5969
|
| 30 |
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S 46.6391 75.7515 42.6034
|
| 31 |
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S 46.7006 75.8837 42.5399
|
| 32 |
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S 46.6755 76.1315 42.4619
|
| 33 |
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S 46.6169 76.4881 42.4193
|
| 34 |
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S 46.5312 76.9373 42.4497
|
| 35 |
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S 46.5035 77.2786 42.4568
|
| 36 |
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S 46.4085 77.5639 42.3076
|
| 37 |
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S 46.4034 77.8237 42.2011
|
| 38 |
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S 46.3800 77.8563 42.2883
|
| 39 |
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S 46.3340 77.7701 42.3798
|
| 40 |
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S 46.3677 77.7292 42.4450
|
| 41 |
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S 46.4579 77.7421 42.5022
|
| 42 |
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S 46.4945 77.7997 42.5369
|
| 43 |
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S 46.5192 77.8381 42.6414
|
| 44 |
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S 46.5951 77.8182 42.6787
|
| 45 |
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S 46.5281 77.7958 42.5942
|
| 46 |
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S 46.4228 77.8253 42.5687
|
| 47 |
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S 46.3212 77.8766 42.5504
|
| 48 |
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S 46.2426 78.0038 42.4880
|
| 49 |
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S 46.2738 78.1436 42.5129
|
| 50 |
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S 46.4255 78.2640 42.4483
|
| 51 |
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S 46.4891 78.2692 42.3110
|
| 52 |
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S 46.5499 78.3359 42.1503
|
| 53 |
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S 46.5870 78.4581 42.0520
|
| 54 |
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S 46.6825 78.5598 42.0807
|
| 55 |
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|
| 56 |
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S 46.8032 78.6564 41.9808
|
| 57 |
+
S 46.8533 78.7414 41.8520
|
5iub_ligand_native_245/MCpath43.xyz
ADDED
|
@@ -0,0 +1,87 @@
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| 1 |
+
85
|
| 2 |
+
85
|
| 3 |
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| 4 |
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| 5 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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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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S 46.4680 77.2341 42.0983
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| 32 |
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S 46.4056 77.5031 42.0220
|
| 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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| 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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S 44.3095 76.0637 41.2315
|
| 67 |
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S 44.1337 76.0328 41.1826
|
| 68 |
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S 43.9039 76.0351 41.3101
|
| 69 |
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S 43.6919 76.1495 41.4113
|
| 70 |
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S 43.4940 76.2454 41.3461
|
| 71 |
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S 43.3026 76.3956 41.2795
|
| 72 |
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S 43.1488 76.5759 41.3658
|
| 73 |
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|
| 74 |
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|
| 75 |
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S 43.1052 76.8323 41.5411
|
| 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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S 43.4987 77.8951 41.3490
|
| 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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S 43.6892 78.6563 41.4456
|
| 87 |
+
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|
5iub_ligand_native_245/MCpath44.xyz
ADDED
|
@@ -0,0 +1,57 @@
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|
| 1 |
+
55
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55
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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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S 46.4758 76.9982 42.3130
|
| 28 |
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S 46.4978 77.0283 42.2874
|
| 29 |
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S 46.4701 77.0204 42.2989
|
| 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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S 46.9773 78.0139 42.2423
|
| 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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|
5iub_ligand_native_245/MCpath45.xyz
ADDED
|
@@ -0,0 +1,60 @@
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|
| 1 |
+
58
|
| 2 |
+
58
|
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| 4 |
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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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S 45.6165 75.2912 42.4695
|
| 20 |
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S 45.5000 75.3072 42.4578
|
| 21 |
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S 45.4564 75.3640 42.4965
|
| 22 |
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S 45.3667 75.3951 42.5326
|
| 23 |
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S 45.3545 75.4453 42.6048
|
| 24 |
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S 45.2690 75.4877 42.7012
|
| 25 |
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S 45.2268 75.5188 42.7582
|
| 26 |
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S 45.2211 75.5295 42.7398
|
| 27 |
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S 45.2162 75.5438 42.6677
|
| 28 |
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S 45.1843 75.5527 42.5909
|
| 29 |
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S 45.1588 75.5468 42.4761
|
| 30 |
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S 45.1562 75.6068 42.3806
|
| 31 |
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S 45.2066 75.6501 42.2959
|
| 32 |
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S 45.2529 75.6736 42.2088
|
| 33 |
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S 45.2615 75.6831 42.2829
|
| 34 |
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S 45.2824 75.7314 42.3467
|
| 35 |
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S 45.3099 75.8574 42.3427
|
| 36 |
+
S 45.3227 76.1455 42.3564
|
| 37 |
+
S 45.3714 76.5315 42.2683
|
| 38 |
+
S 45.4507 76.9026 42.1528
|
| 39 |
+
S 45.6058 77.2866 42.0507
|
| 40 |
+
S 45.7984 77.6378 41.9367
|
| 41 |
+
S 45.9566 77.8485 41.7746
|
| 42 |
+
S 46.0235 77.8480 41.6562
|
| 43 |
+
S 46.0992 77.8584 41.6928
|
| 44 |
+
S 46.1683 77.8786 41.7949
|
| 45 |
+
S 46.1487 77.8388 41.9060
|
| 46 |
+
S 46.1564 77.8096 41.9972
|
| 47 |
+
S 46.1774 77.7643 41.9159
|
| 48 |
+
S 46.3150 77.7044 41.8401
|
| 49 |
+
S 46.4741 77.6806 41.7813
|
| 50 |
+
S 46.6202 77.6565 41.6217
|
| 51 |
+
S 46.7840 77.5731 41.4372
|
| 52 |
+
S 46.7907 77.5509 41.4121
|
| 53 |
+
S 46.7723 77.6127 41.4052
|
| 54 |
+
S 46.7593 77.7235 41.3595
|
| 55 |
+
S 46.6959 77.8847 41.3439
|
| 56 |
+
S 46.5292 78.0747 41.3365
|
| 57 |
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S 46.3874 78.2074 41.2125
|
| 58 |
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S 46.2806 78.3972 41.0946
|
| 59 |
+
S 46.2026 78.6108 41.0709
|
| 60 |
+
S 46.2213 78.7469 41.0356
|
5iub_ligand_native_245/MCpath46.xyz
ADDED
|
@@ -0,0 +1,66 @@
|
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|
| 1 |
+
64
|
| 2 |
+
64
|
| 3 |
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| 4 |
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S 46.4480 75.4465 42.9126
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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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S 46.3363 75.7087 42.6818
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| 12 |
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| 13 |
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S 46.5658 76.0496 42.5804
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| 14 |
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S 46.5882 76.2317 42.6147
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| 15 |
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S 46.5614 76.3898 42.5942
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| 16 |
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| 17 |
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S 46.4427 76.6107 42.6292
|
| 18 |
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S 46.3606 76.6219 42.5670
|
| 19 |
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S 46.3081 76.6967 42.5138
|
| 20 |
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S 46.3543 76.7526 42.4810
|
| 21 |
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S 46.4905 76.8220 42.4397
|
| 22 |
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S 46.6250 76.8539 42.3257
|
| 23 |
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S 46.6196 76.9502 42.2093
|
| 24 |
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S 46.5052 77.0840 42.2486
|
| 25 |
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S 46.4397 77.2764 42.3309
|
| 26 |
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S 46.3756 77.4440 42.3296
|
| 27 |
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S 46.2921 77.7131 42.1839
|
| 28 |
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S 46.1720 77.8917 41.9399
|
| 29 |
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S 46.0227 78.0163 41.8200
|
| 30 |
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S 45.8826 78.1421 41.7823
|
| 31 |
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S 45.7732 78.1724 41.8284
|
| 32 |
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S 45.7140 78.1812 41.7812
|
| 33 |
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S 45.7296 78.1255 41.7501
|
| 34 |
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S 45.7426 78.0799 41.8091
|
| 35 |
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S 45.7617 78.0038 41.8794
|
| 36 |
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S 45.7731 77.9004 41.9318
|
| 37 |
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S 45.8649 77.8118 41.9829
|
| 38 |
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S 45.8606 77.7185 41.9862
|
| 39 |
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S 45.8098 77.5924 41.9627
|
| 40 |
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S 45.7278 77.4090 41.9979
|
| 41 |
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S 45.5996 77.2160 42.1258
|
| 42 |
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S 45.4404 77.0526 42.3676
|
| 43 |
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S 45.3256 76.9565 42.4515
|
| 44 |
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S 45.2619 76.9638 42.5447
|
| 45 |
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S 45.2709 76.9968 42.6308
|
| 46 |
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S 45.3424 76.9833 42.6270
|
| 47 |
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S 45.3798 76.9728 42.5037
|
| 48 |
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S 45.3999 76.9855 42.4312
|
| 49 |
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S 45.4204 77.0399 42.3884
|
| 50 |
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S 45.3929 77.1298 42.4280
|
| 51 |
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S 45.3806 77.1604 42.4910
|
| 52 |
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S 45.3904 77.2134 42.5029
|
| 53 |
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S 45.3446 77.2863 42.5391
|
| 54 |
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S 45.2811 77.3348 42.6257
|
| 55 |
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S 45.1685 77.4205 42.6785
|
| 56 |
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S 45.0617 77.5946 42.7675
|
| 57 |
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S 45.0969 77.7090 42.8243
|
| 58 |
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S 45.1758 77.8067 42.9110
|
| 59 |
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S 45.2578 77.9730 43.0242
|
| 60 |
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S 45.3513 78.0584 43.0576
|
| 61 |
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S 45.4347 78.2060 43.1608
|
| 62 |
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|
| 63 |
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S 45.6558 78.4807 43.3047
|
| 64 |
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S 45.7836 78.5692 43.3271
|
| 65 |
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S 45.8948 78.6559 43.4034
|
| 66 |
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S 46.0130 78.7430 43.4842
|
5iub_ligand_native_245/MCpath47.xyz
ADDED
|
@@ -0,0 +1,49 @@
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|
| 1 |
+
47
|
| 2 |
+
47
|
| 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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S 46.6238 75.2786 42.5631
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| 8 |
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| 9 |
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S 46.5987 75.3679 42.6453
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| 10 |
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S 46.4057 75.4869 42.6908
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| 13 |
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S 46.3028 75.5106 42.6447
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| 14 |
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S 46.2710 75.5268 42.5972
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| 15 |
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S 46.2301 75.6160 42.5795
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| 16 |
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|
| 17 |
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| 18 |
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S 46.1210 75.6604 42.4940
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| 19 |
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S 46.1144 75.7180 42.6257
|
| 20 |
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S 46.1773 75.8275 42.6782
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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S 46.2486 76.7032 42.2788
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| 25 |
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S 46.1812 76.8820 42.2177
|
| 26 |
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S 46.1923 77.0830 42.2423
|
| 27 |
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S 46.2447 77.2296 42.2118
|
| 28 |
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S 46.2916 77.4104 42.2757
|
| 29 |
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S 46.2882 77.6070 42.2812
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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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S 46.1114 78.5481 41.0439
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| 47 |
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S 46.1682 78.5187 41.0700
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| 48 |
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S 46.3217 78.6200 41.1891
|
| 49 |
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S 46.4898 78.7475 41.2793
|
5iub_ligand_native_245/MCpath48.xyz
ADDED
|
@@ -0,0 +1,39 @@
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| 1 |
+
37
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| 2 |
+
37
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| 3 |
+
S 46.5033 75.5424 42.7601
|
| 4 |
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S 46.5002 75.5274 42.7262
|
| 5 |
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S 46.4847 75.5039 42.6842
|
| 6 |
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S 46.4889 75.4540 42.6551
|
| 7 |
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|
| 8 |
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|
| 9 |
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S 46.3778 75.3592 42.6698
|
| 10 |
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S 46.3824 75.4088 42.7359
|
| 11 |
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S 46.3869 75.5841 42.7292
|
| 12 |
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S 46.3720 75.7083 42.7272
|
| 13 |
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S 46.3876 75.8120 42.6870
|
| 14 |
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S 46.4071 75.8865 42.6276
|
| 15 |
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|
| 16 |
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|
| 17 |
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S 46.3607 76.1693 42.4575
|
| 18 |
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S 46.3182 76.2002 42.4104
|
| 19 |
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S 46.2370 76.3103 42.3834
|
| 20 |
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S 46.1744 76.3711 42.3995
|
| 21 |
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S 46.2310 76.4047 42.3674
|
| 22 |
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S 46.3040 76.4281 42.3603
|
| 23 |
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S 46.4499 76.4869 42.3534
|
| 24 |
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S 46.5217 76.6100 42.3700
|
| 25 |
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S 46.5955 76.7168 42.4194
|
| 26 |
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S 46.5775 76.7705 42.4519
|
| 27 |
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S 46.5408 76.7537 42.4295
|
| 28 |
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S 46.5456 76.8212 42.4958
|
| 29 |
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S 46.4132 76.9828 42.5157
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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S 46.1359 78.0275 42.0562
|
| 34 |
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S 46.1602 78.1804 42.0643
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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S 46.3353 78.6107 41.9586
|
| 39 |
+
S 46.3242 78.8245 41.8521
|
5iub_ligand_native_245/MCpath49.xyz
ADDED
|
@@ -0,0 +1,126 @@
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|
| 1 |
+
124
|
| 2 |
+
124
|
| 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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S 46.7866 75.7110 42.5851
|
| 8 |
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S 46.8466 75.7070 42.5435
|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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S 46.5173 75.4249 42.6066
|
| 13 |
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S 46.3776 75.2900 42.6330
|
| 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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S 46.3591 75.3657 42.7837
|
| 19 |
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S 46.4233 75.3619 42.7042
|
| 20 |
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S 46.5384 75.3940 42.6248
|
| 21 |
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S 46.6573 75.4734 42.5642
|
| 22 |
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S 46.7078 75.6069 42.5746
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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S 46.7545 76.1502 42.5855
|
| 27 |
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S 46.5391 76.3567 42.3987
|
| 28 |
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S 46.3169 76.6557 42.1896
|
| 29 |
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S 46.2051 76.9508 42.0636
|
| 30 |
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|
| 31 |
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|
| 32 |
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S 46.0763 77.4798 41.9575
|
| 33 |
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S 46.1147 77.6104 41.9199
|
| 34 |
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S 46.1898 77.7137 41.9179
|
| 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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| 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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| 66 |
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| 67 |
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| 90 |
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| 91 |
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S 43.9945 74.9885 41.5924
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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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S 43.5197 75.1652 41.6854
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| 97 |
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S 43.3883 75.1780 41.7015
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| 98 |
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S 43.3431 75.2024 41.6375
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| 99 |
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S 43.2756 75.3090 41.5791
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| 100 |
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S 43.3167 75.4544 41.5283
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| 101 |
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S 43.3367 75.6042 41.4540
|
| 102 |
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S 43.2200 75.8662 41.4602
|
| 103 |
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S 43.1011 76.0655 41.3708
|
| 104 |
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S 43.0474 76.2434 41.3483
|
| 105 |
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S 43.0563 76.3934 41.3282
|
| 106 |
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S 43.0811 76.4401 41.2653
|
| 107 |
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S 43.2023 76.5354 41.2278
|
| 108 |
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S 43.3916 76.6725 41.2367
|
| 109 |
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S 43.5106 76.8246 41.2828
|
| 110 |
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S 43.4949 76.9416 41.3133
|
| 111 |
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S 43.5492 77.1222 41.2039
|
| 112 |
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S 43.6104 77.3644 41.0923
|
| 113 |
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S 43.7020 77.5474 41.0514
|
| 114 |
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S 43.6845 77.6764 40.9708
|
| 115 |
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S 43.6115 77.7201 40.8935
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| 116 |
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S 43.5266 77.7819 40.9409
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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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|
5iub_ligand_native_245/MCpath5.xyz
ADDED
|
@@ -0,0 +1,57 @@
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| 1 |
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55
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55
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| 23 |
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| 26 |
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S 45.7933 75.1016 42.5747
|
| 27 |
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S 45.6242 75.1874 42.5560
|
| 28 |
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S 45.4874 75.2815 42.5636
|
| 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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S 45.8891 77.5068 41.5990
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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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| 54 |
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| 55 |
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| 56 |
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|
| 57 |
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5iub_ligand_native_245/MCpath50.xyz
ADDED
|
@@ -0,0 +1,53 @@
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| 1 |
+
51
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51
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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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S 46.4683 75.6194 42.4300
|
| 25 |
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|
| 26 |
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|
| 27 |
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S 46.4192 75.9239 42.7042
|
| 28 |
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S 46.3914 76.1011 42.6744
|
| 29 |
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S 46.3150 76.3944 42.6558
|
| 30 |
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S 46.3134 76.6831 42.5671
|
| 31 |
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S 46.3049 76.9235 42.3966
|
| 32 |
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S 46.2271 77.1862 42.2149
|
| 33 |
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S 46.1000 77.4749 42.0312
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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S 45.7635 78.0580 41.5312
|
| 38 |
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| 39 |
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| 40 |
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| 44 |
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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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5iub_ligand_native_245/MCpath6.xyz
ADDED
|
@@ -0,0 +1,61 @@
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| 1 |
+
59
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| 2 |
+
59
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| 3 |
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| 8 |
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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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S 46.3431 75.4696 42.6326
|
| 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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S 46.4277 78.1668 41.6945
|
| 41 |
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S 46.4042 78.1418 41.5790
|
| 42 |
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S 46.3866 78.1316 41.4981
|
| 43 |
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S 46.3491 78.1417 41.5265
|
| 44 |
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S 46.3878 78.2375 41.4352
|
| 45 |
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S 46.4836 78.3318 41.4610
|
| 46 |
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S 46.5092 78.2887 41.5445
|
| 47 |
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S 46.6202 78.2641 41.6172
|
| 48 |
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S 46.7312 78.2785 41.6954
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| 49 |
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| 50 |
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|
| 51 |
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|
| 52 |
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S 46.8565 78.4043 41.8476
|
| 53 |
+
S 46.8512 78.4200 41.8345
|
| 54 |
+
S 46.8147 78.3709 41.7991
|
| 55 |
+
S 46.8341 78.3018 41.7508
|
| 56 |
+
S 46.8851 78.2794 41.6639
|
| 57 |
+
S 46.8588 78.2583 41.5793
|
| 58 |
+
S 46.6961 78.2965 41.5068
|
| 59 |
+
S 46.5960 78.4490 41.4533
|
| 60 |
+
S 46.5290 78.5672 41.3268
|
| 61 |
+
S 46.4743 78.8105 41.2916
|
5iub_ligand_native_245/MCpath7.xyz
ADDED
|
@@ -0,0 +1,56 @@
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| 1 |
+
54
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| 2 |
+
54
|
| 3 |
+
S 46.7006 75.2239 42.8228
|
| 4 |
+
S 46.6419 75.2395 42.8614
|
| 5 |
+
S 46.5518 75.1926 42.9119
|
| 6 |
+
S 46.4821 75.1447 43.0149
|
| 7 |
+
S 46.3858 75.1296 43.0701
|
| 8 |
+
S 46.3602 75.1518 43.0417
|
| 9 |
+
S 46.3779 75.1722 43.0329
|
| 10 |
+
S 46.4421 75.1330 43.0153
|
| 11 |
+
S 46.4540 75.1226 42.9325
|
| 12 |
+
S 46.3385 75.1633 42.8135
|
| 13 |
+
S 46.2392 75.1969 42.7433
|
| 14 |
+
S 46.1774 75.2137 42.8246
|
| 15 |
+
S 46.1094 75.1972 42.8474
|
| 16 |
+
S 46.0901 75.2544 42.7145
|
| 17 |
+
S 46.1121 75.3669 42.5292
|
| 18 |
+
S 46.1672 75.5200 42.5142
|
| 19 |
+
S 46.2785 75.7171 42.5375
|
| 20 |
+
S 46.3926 75.9097 42.5167
|
| 21 |
+
S 46.5213 76.1013 42.4546
|
| 22 |
+
S 46.6602 76.2578 42.3844
|
| 23 |
+
S 46.7691 76.4066 42.4200
|
| 24 |
+
S 46.7950 76.5257 42.4754
|
| 25 |
+
S 46.6862 76.6448 42.3948
|
| 26 |
+
S 46.6569 76.7299 42.3737
|
| 27 |
+
S 46.5479 76.7506 42.4613
|
| 28 |
+
S 46.4508 76.6745 42.4663
|
| 29 |
+
S 46.3807 76.6386 42.4062
|
| 30 |
+
S 46.3655 76.6478 42.3503
|
| 31 |
+
S 46.3259 76.6132 42.2644
|
| 32 |
+
S 46.3044 76.6014 42.2082
|
| 33 |
+
S 46.2566 76.6651 42.2286
|
| 34 |
+
S 46.2714 76.7403 42.2937
|
| 35 |
+
S 46.3047 76.8429 42.3018
|
| 36 |
+
S 46.2394 76.9698 42.2628
|
| 37 |
+
S 46.1560 77.1108 42.2951
|
| 38 |
+
S 46.1237 77.1670 42.2703
|
| 39 |
+
S 46.1838 77.2737 42.3204
|
| 40 |
+
S 46.1516 77.4046 42.4288
|
| 41 |
+
S 46.1373 77.4789 42.4126
|
| 42 |
+
S 46.1904 77.6012 42.4472
|
| 43 |
+
S 46.2204 77.7102 42.4029
|
| 44 |
+
S 46.2766 77.7614 42.3137
|
| 45 |
+
S 46.2397 77.7623 42.2129
|
| 46 |
+
S 46.2480 77.8142 42.1908
|
| 47 |
+
S 46.2779 77.8987 42.2377
|
| 48 |
+
S 46.2558 78.0255 42.2590
|
| 49 |
+
S 46.1991 78.0599 42.2623
|
| 50 |
+
S 46.2634 78.0285 42.1341
|
| 51 |
+
S 46.3175 78.0471 42.0013
|
| 52 |
+
S 46.3201 78.2009 41.8401
|
| 53 |
+
S 46.3527 78.3415 41.6698
|
| 54 |
+
S 46.3241 78.4205 41.5383
|
| 55 |
+
S 46.2894 78.5154 41.4763
|
| 56 |
+
S 46.2483 78.7122 41.4039
|
5iub_ligand_native_245/MCpath8.xyz
ADDED
|
@@ -0,0 +1,51 @@
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|
| 1 |
+
49
|
| 2 |
+
49
|
| 3 |
+
S 46.6308 75.4006 42.7958
|
| 4 |
+
S 46.5851 75.3901 42.7666
|
| 5 |
+
S 46.5422 75.4020 42.7162
|
| 6 |
+
S 46.5146 75.4057 42.6924
|
| 7 |
+
S 46.4601 75.3296 42.6764
|
| 8 |
+
S 46.3990 75.2524 42.6611
|
| 9 |
+
S 46.4741 75.2000 42.6209
|
| 10 |
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S 46.5869 75.2550 42.5747
|
| 11 |
+
S 46.6391 75.4164 42.6577
|
| 12 |
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S 46.7296 75.5962 42.7545
|
| 13 |
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S 46.8295 75.7702 42.7145
|
| 14 |
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S 46.7803 75.9383 42.5844
|
| 15 |
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S 46.6423 76.1791 42.4757
|
| 16 |
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S 46.5041 76.3831 42.3638
|
| 17 |
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S 46.5011 76.5368 42.3365
|
| 18 |
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S 46.5524 76.6310 42.3464
|
| 19 |
+
S 46.5018 76.7291 42.3557
|
| 20 |
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S 46.4651 76.8711 42.3864
|
| 21 |
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S 46.4237 76.8726 42.3202
|
| 22 |
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S 46.3687 76.8248 42.2218
|
| 23 |
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S 46.3774 76.8199 42.3023
|
| 24 |
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S 46.3985 76.8161 42.3815
|
| 25 |
+
S 46.4453 76.7290 42.4240
|
| 26 |
+
S 46.4405 76.6005 42.3671
|
| 27 |
+
S 46.4545 76.4867 42.3721
|
| 28 |
+
S 46.5226 76.3761 42.3970
|
| 29 |
+
S 46.5816 76.2695 42.3873
|
| 30 |
+
S 46.6659 76.2348 42.4456
|
| 31 |
+
S 46.6821 76.1555 42.4977
|
| 32 |
+
S 46.6575 76.0976 42.5748
|
| 33 |
+
S 46.6149 76.1004 42.5977
|
| 34 |
+
S 46.5187 76.0976 42.6840
|
| 35 |
+
S 46.4087 76.1340 42.7825
|
| 36 |
+
S 46.3328 76.1637 42.7477
|
| 37 |
+
S 46.3947 76.2026 42.6583
|
| 38 |
+
S 46.4893 76.1643 42.5369
|
| 39 |
+
S 46.4397 76.2074 42.5407
|
| 40 |
+
S 46.3666 76.3675 42.5313
|
| 41 |
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S 46.3941 76.5185 42.5337
|
| 42 |
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S 46.4941 76.6269 42.6224
|
| 43 |
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S 46.5571 76.7375 42.6504
|
| 44 |
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S 46.5343 76.9207 42.6202
|
| 45 |
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S 46.4999 77.1821 42.6146
|
| 46 |
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S 46.4987 77.4820 42.5302
|
| 47 |
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S 46.4822 77.8415 42.4087
|
| 48 |
+
S 46.4585 78.1665 42.2357
|
| 49 |
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S 46.4825 78.4162 42.0250
|
| 50 |
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S 46.5434 78.6414 41.7861
|
| 51 |
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S 46.6329 78.8143 41.6206
|