|
1
|
1.mol2, BDB-kin1.pdbqt
|
168,45
|
99,1
|
-1,114
|
242,23
|
-1,2509
|
7
|
3
|
0
|
3,4779
|
0,953047652646727
|
|
8
|
8.mol2, BDB-kin8.pdbqt
|
92,74
|
40,46
|
-1,352
|
116,159
|
0,3478
|
2
|
2
|
0
|
-8,3351
|
0,489009056035161
|
|
11
|
11.mol2, BDB-kin11.pdbqt
|
712,67
|
554,05
|
1,57
|
1134,98
|
-12,86
|
35
|
21
|
3
|
-10,037
|
0,249958472317835
|
|
12
|
12.mol2, BDB-kin12.pdbqt
|
175,06
|
103,73
|
-2,436
|
244,314
|
0,605
|
5
|
3
|
0
|
-13,535
|
0,468542707098367
|
|
18
|
18.mol2, BDB-kin18.pdbqt
|
232,08
|
55,28
|
-2,104
|
300,384
|
2,0908
|
3
|
2
|
0
|
1,5439
|
0,424474522903928
|
|
19
|
19.mol2, BDB-kin19.pdbqt
|
407,61
|
353,11
|
0,16
|
614,647
|
-9,5965
|
19
|
13
|
3
|
2,6059
|
0,578531905495461
|
|
21
|
21.mol2, BDB-kin21.pdbqt
|
324,2
|
59,51
|
-5,639
|
475,361
|
4,6769
|
6
|
1
|
0
|
2,6088
|
0,403781469633131
|
|
281
|
281.mol2, BDB-kin281.pdbqt
|
563,26
|
347,96
|
-6,194
|
862,744
|
-0,9974
|
20
|
12
|
3
|
-4,2468
|
0,158030658114903
|
|
772
|
772.mol2, BDB-kin772.pdbqt
|
101,76
|
52,04
|
-0,885
|
121,162
|
0,3479
|
2
|
2
|
0
|
-1,2915
|
0,596918930544329
|
|
1665
|
1665.mol2, BDB-kin1665.pdbqt
|
272,88
|
94,03
|
-4,136
|
457,218
|
1,151
|
7
|
3
|
0
|
3,1925
|
0,6715679820708
|
|
1710
|
1710.mol2, BDB-kin1710.pdbqt
|
283,82
|
105,47
|
-4,245
|
486,236
|
0,0596
|
8
|
3
|
0
|
4,318
|
0,640865703202185
|
|
1711
|
1711.mol2, BDB-kin1711.pdbqt
|
294,29
|
105,47
|
-4,369
|
500,263
|
0,4998
|
8
|
3
|
1
|
5,7651
|
0,615077703009163
|
|
1713
|
1713.mol2, BDB-kin1713.pdbqt
|
294,55
|
114,26
|
-3,949
|
454,275
|
1,3119
|
8
|
4
|
0
|
3,1334
|
0,687770562308847
|
|
1714
|
1714.mol2, BDB-kin1714.pdbqt
|
302,2
|
114,26
|
-4,131
|
501,271
|
1,0238
|
8
|
4
|
1
|
5,3117
|
0,630156795627118
|
|
1716
|
1716.mol2, BDB-kin1716.pdbqt
|
277,44
|
94,03
|
-4,649
|
475,208
|
1,3523
|
7
|
3
|
0
|
-0,57423
|
0,419257510280795
|
|
1717
|
1717.mol2, BDB-kin1717.pdbqt
|
292,81
|
138,38
|
-3,144
|
404,352
|
-0,5699
|
9
|
3
|
0
|
-4,3502
|
0,414489595371872
|
|
1719
|
1719.mol2, BDB-kin1719.pdbqt
|
336,07
|
168,81
|
-4,25
|
486,475
|
-1,0883
|
11
|
5
|
1
|
-1,6043
|
0,377038415220771
|
|
1722
|
1722.mol2, BDB-kin1722.pdbqt
|
288,64
|
114,26
|
-4,338
|
458,238
|
1,073
|
8
|
4
|
0
|
-2,0904
|
0,370090382488544
|
|
1773
|
1773.mol2, BDB-kin1773.pdbqt
|
338,01
|
99,16
|
-6,321
|
440,506
|
3,6932
|
8
|
1
|
0
|
-2,4084
|
7,51497370871527E-02
|
|
1774
|
1774.mol2, BDB-kin1774.pdbqt
|
338,01
|
99,16
|
-6,321
|
440,506
|
3,6932
|
8
|
1
|
0
|
-2,4084
|
7,51497370871527E-02
|
