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ligand_example.pdb
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COMPND CHEMBL596073
AUTHOR GENERATED BY OPEN BABEL 3.1.1
HETATM 1 C UNL 1 3.722 0.514 -0.979 1.00 0.00 C
HETATM 2 C UNL 1 2.751 -0.599 -0.681 1.00 0.00 C
HETATM 3 C UNL 1 1.739 -1.067 -1.555 1.00 0.00 C
HETATM 4 C UNL 1 1.071 -2.107 -0.879 1.00 0.00 C
HETATM 5 C UNL 1 0.012 -2.763 -1.509 1.00 0.00 C
HETATM 6 C UNL 1 -0.343 -2.368 -2.770 1.00 0.00 C
HETATM 7 C UNL 1 0.358 -1.328 -3.392 1.00 0.00 C
HETATM 8 N UNL 1 1.359 -0.717 -2.783 1.00 0.00 N
HETATM 9 C UNL 1 -0.030 -0.905 -4.759 1.00 0.00 C
HETATM 10 C UNL 1 -0.205 -1.849 -5.771 1.00 0.00 C
HETATM 11 C UNL 1 -0.570 -1.402 -7.035 1.00 0.00 C
HETATM 12 C UNL 1 -0.747 -0.042 -7.252 1.00 0.00 C
HETATM 13 N UNL 1 -0.576 0.830 -6.279 1.00 0.00 N
HETATM 14 C UNL 1 -0.233 0.453 -5.055 1.00 0.00 C
HETATM 15 C UNL 1 -0.058 1.471 -3.993 1.00 0.00 C
HETATM 16 C UNL 1 0.611 2.772 -4.115 1.00 0.00 C
HETATM 17 C UNL 1 0.526 3.348 -2.905 1.00 0.00 C
HETATM 18 O UNL 1 -0.127 2.522 -2.073 1.00 0.00 O
HETATM 19 C UNL 1 -0.489 1.397 -2.706 1.00 0.00 C
HETATM 20 O UNL 1 -0.751 -2.287 -8.050 1.00 0.00 O
HETATM 21 C UNL 1 -1.125 -1.750 -9.321 1.00 0.00 C
HETATM 22 C UNL 1 -1.281 -2.890 -10.330 1.00 0.00 C
HETATM 23 C UNL 1 -1.559 -2.308 -11.717 1.00 0.00 C
HETATM 24 C UNL 1 -1.591 -3.421 -12.732 1.00 0.00 C
HETATM 25 C UNL 1 -0.568 -3.835 -13.496 1.00 0.00 C
HETATM 26 N UNL 1 -0.972 -4.868 -14.297 1.00 0.00 N
HETATM 27 C UNL 1 -2.299 -5.151 -14.063 1.00 0.00 C
HETATM 28 C UNL 1 -2.743 -4.261 -13.067 1.00 0.00 C
HETATM 29 C UNL 1 -4.064 -4.321 -12.619 1.00 0.00 C
HETATM 30 C UNL 1 -4.919 -5.247 -13.148 1.00 0.00 C
HETATM 31 C UNL 1 -4.484 -6.130 -14.127 1.00 0.00 C
HETATM 32 C UNL 1 -3.188 -6.082 -14.590 1.00 0.00 C
HETATM 33 N UNL 1 -2.401 -3.751 -9.927 1.00 0.00 N1+
HETATM 34 N UNL 1 1.675 -2.236 0.344 1.00 0.00 N
HETATM 35 N UNL 1 2.706 -1.292 0.420 1.00 0.00 N
HETATM 36 H UNL 1 4.373 0.654 -0.141 1.00 0.00 H
HETATM 37 H UNL 1 3.182 1.418 -1.166 1.00 0.00 H
HETATM 38 H UNL 1 4.301 0.260 -1.842 1.00 0.00 H
HETATM 39 H UNL 1 -0.492 -3.529 -1.034 1.00 0.00 H
HETATM 40 H UNL 1 -1.123 -2.834 -3.260 1.00 0.00 H
HETATM 41 H UNL 1 -0.067 -2.855 -5.585 1.00 0.00 H
HETATM 42 H UNL 1 -1.017 0.291 -8.191 1.00 0.00 H
HETATM 43 H UNL 1 1.056 3.164 -4.959 1.00 0.00 H
HETATM 44 H UNL 1 0.902 4.276 -2.655 1.00 0.00 H
HETATM 45 H UNL 1 -1.007 0.609 -2.287 1.00 0.00 H
HETATM 46 H UNL 1 -0.367 -1.075 -9.660 1.00 0.00 H
HETATM 47 H UNL 1 -2.053 -1.226 -9.228 1.00 0.00 H
HETATM 48 H UNL 1 -0.380 -3.467 -10.359 1.00 0.00 H
HETATM 49 H UNL 1 -0.787 -1.613 -11.974 1.00 0.00 H
HETATM 50 H UNL 1 -2.503 -1.805 -11.710 1.00 0.00 H
HETATM 51 H UNL 1 0.383 -3.434 -13.481 1.00 0.00 H
HETATM 52 H UNL 1 -0.399 -5.339 -14.944 1.00 0.00 H
HETATM 53 H UNL 1 -4.394 -3.668 -11.891 1.00 0.00 H
HETATM 54 H UNL 1 -5.896 -5.290 -12.817 1.00 0.00 H
HETATM 55 H UNL 1 -5.138 -6.829 -14.512 1.00 0.00 H
HETATM 56 H UNL 1 -2.877 -6.735 -15.326 1.00 0.00 H
HETATM 57 H UNL 1 -3.260 -3.201 -9.900 1.00 0.00 H
HETATM 58 H UNL 1 -2.216 -4.139 -9.002 1.00 0.00 H
HETATM 59 H UNL 1 -2.505 -4.511 -10.600 1.00 0.00 H
HETATM 60 H UNL 1 1.427 -2.880 1.046 1.00 0.00 H
CONECT 1 2 36 37 38
CONECT 2 1 35 35 3
CONECT 3 2 8 8 4
CONECT 4 3 5 5 34
CONECT 5 4 4 6 39
CONECT 6 5 7 7 40
CONECT 7 6 6 8 9
CONECT 8 3 3 7
CONECT 9 7 14 14 10
CONECT 10 9 11 11 41
CONECT 11 10 10 12 20
CONECT 12 11 13 13 42
CONECT 13 12 12 14
CONECT 14 9 9 13 15
CONECT 15 14 19 19 16
CONECT 16 15 17 17 43
CONECT 17 16 16 18 44
CONECT 18 17 19
CONECT 19 15 15 18 45
CONECT 20 11 21
CONECT 21 20 22 46 47
CONECT 22 21 23 33 48
CONECT 23 22 24 49 50
CONECT 24 23 28 25 25
CONECT 25 24 24 26 51
CONECT 26 25 27 52
CONECT 27 26 32 32 28
CONECT 28 24 27 29 29
CONECT 29 28 28 30 53
CONECT 30 29 31 31 54
CONECT 31 30 30 32 55
CONECT 32 27 27 31 56
CONECT 33 22 57 58 59
CONECT 34 4 35 60
CONECT 35 2 2 34
CONECT 36 1
CONECT 37 1
CONECT 38 1
CONECT 39 5
CONECT 40 6
CONECT 41 10
CONECT 42 12
CONECT 43 16
CONECT 44 17
CONECT 45 19
CONECT 46 21
CONECT 47 21
CONECT 48 22
CONECT 49 23
CONECT 50 23
CONECT 51 25
CONECT 52 26
CONECT 53 29
CONECT 54 30
CONECT 55 31
CONECT 56 32
CONECT 57 33
CONECT 58 33
CONECT 59 33
CONECT 60 34
MASTER 0 0 0 0 0 0 0 0 60 0 60 0
END