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ligand.pdb
118 lines (118 loc) · 8.59 KB
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ligand.pdb
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COMPND 192007
AUTHOR GENERATED BY OPEN BABEL 3.1.0
HETATM 1 O UNL 1 6.844 -2.336 0.000 1.00 0.00 O
HETATM 2 O UNL 1 4.230 0.198 0.000 1.00 0.00 O
HETATM 3 O UNL 1 2.312 -1.312 0.000 1.00 0.00 O
HETATM 4 O UNL 1 5.090 0.695 0.000 1.00 0.00 O
HETATM 5 C UNL 1 5.112 -2.336 0.000 1.00 0.00 C
HETATM 6 C UNL 1 5.112 -1.336 0.000 1.00 0.00 C
HETATM 7 C UNL 1 4.218 -0.801 0.000 1.00 0.00 C
HETATM 8 C UNL 1 5.978 -2.836 0.000 1.00 0.00 C
HETATM 9 C UNL 1 3.312 -1.315 0.000 1.00 0.00 C
HETATM 10 C UNL 1 4.218 -2.871 0.000 1.00 0.00 C
HETATM 11 C UNL 1 3.312 -2.357 0.000 1.00 0.00 C
HETATM 12 C UNL 1 5.978 -0.836 0.000 1.00 0.00 C
HETATM 13 C UNL 1 6.844 -1.336 0.000 1.00 0.00 C
HETATM 14 C UNL 1 6.478 -3.702 0.000 1.00 0.00 C
HETATM 15 C UNL 1 5.478 -3.702 0.000 1.00 0.00 C
HETATM 16 C UNL 1 2.815 -0.447 0.000 1.00 0.00 C
HETATM 17 C UNL 1 5.962 0.205 0.000 1.00 0.00 C
HETATM 18 C UNL 1 7.754 -0.829 0.000 1.00 0.00 C
HETATM 19 C UNL 1 7.762 0.212 0.000 1.00 0.00 C
HETATM 20 C UNL 1 6.860 0.733 0.000 1.00 0.00 C
HETATM 21 C UNL 1 8.630 0.709 0.000 1.00 0.00 C
HETATM 22 C UNL 1 8.634 1.709 0.000 1.00 0.00 C
HETATM 23 C UNL 1 9.502 2.206 0.000 1.00 0.00 C
HETATM 24 C UNL 1 9.506 3.206 0.000 1.00 0.00 C
HETATM 25 C UNL 1 10.374 3.702 0.000 1.00 0.00 C
HETATM 26 H UNL 1 5.119 -3.186 0.000 1.00 0.00 H
HETATM 27 H UNL 1 5.119 -0.486 0.000 1.00 0.00 H
HETATM 28 H UNL 1 4.759 -0.499 0.000 1.00 0.00 H
HETATM 29 H UNL 1 3.825 -3.350 0.000 1.00 0.00 H
HETATM 30 H UNL 1 4.623 -3.341 0.000 1.00 0.00 H
HETATM 31 H UNL 1 2.701 -2.251 0.000 1.00 0.00 H
HETATM 32 H UNL 1 3.103 -2.941 0.000 1.00 0.00 H
HETATM 33 H UNL 1 5.941 -4.012 0.000 1.00 0.00 H
HETATM 34 H UNL 1 6.788 -4.239 0.000 1.00 0.00 H
HETATM 35 H UNL 1 7.015 -3.392 0.000 1.00 0.00 H
HETATM 36 H UNL 1 4.941 -3.392 0.000 1.00 0.00 H
HETATM 37 H UNL 1 5.168 -4.239 0.000 1.00 0.00 H
HETATM 38 H UNL 1 6.015 -4.012 0.000 1.00 0.00 H
HETATM 39 H UNL 1 3.353 -0.140 0.000 1.00 0.00 H
HETATM 40 H UNL 1 2.507 0.091 0.000 1.00 0.00 H
HETATM 41 H UNL 1 2.277 -0.755 0.000 1.00 0.00 H
HETATM 42 H UNL 1 3.696 0.515 0.000 1.00 0.00 H
HETATM 43 H UNL 1 2.000 -1.847 0.000 1.00 0.00 H
HETATM 44 H UNL 1 8.287 -1.145 0.000 1.00 0.00 H
HETATM 45 H UNL 1 6.858 1.353 0.000 1.00 0.00 H
HETATM 46 H UNL 1 8.840 0.126 0.000 1.00 0.00 H
HETATM 47 H UNL 1 9.241 0.814 0.000 1.00 0.00 H
HETATM 48 H UNL 1 5.083 1.315 0.000 1.00 0.00 H
HETATM 49 H UNL 1 8.424 2.292 0.000 1.00 0.00 H
HETATM 50 H UNL 1 8.023 1.604 0.000 1.00 0.00 H
HETATM 51 H UNL 1 9.712 1.622 0.000 1.00 0.00 H
HETATM 52 H UNL 1 10.113 2.311 0.000 1.00 0.00 H
HETATM 53 H UNL 1 9.296 3.789 0.000 1.00 0.00 H
HETATM 54 H UNL 1 8.895 3.100 0.000 1.00 0.00 H
HETATM 55 H UNL 1 10.682 3.164 0.000 1.00 0.00 H
HETATM 56 H UNL 1 10.912 4.010 0.000 1.00 0.00 H
HETATM 57 H UNL 1 10.066 4.240 0.000 1.00 0.00 H
CONECT 1 8 13
CONECT 2 7 42
CONECT 3 9 43
CONECT 4 17 48
CONECT 5 6 8 10 26
CONECT 6 5 7 12 27
CONECT 7 2 6 9 28
CONECT 8 1 5 14 15
CONECT 9 3 7 11 16
CONECT 10 5 11 29 30
CONECT 11 9 10 31 32
CONECT 12 6 13 17 17
CONECT 13 1 12 18 18
CONECT 14 8 33 34 35
CONECT 15 8 36 37 38
CONECT 16 9 39 40 41
CONECT 17 4 12 12 20
CONECT 18 13 13 19 44
CONECT 19 18 20 20 21
CONECT 20 17 19 19 45
CONECT 21 19 22 46 47
CONECT 22 21 23 49 50
CONECT 23 22 24 51 52
CONECT 24 23 25 53 54
CONECT 25 24 55 56 57
CONECT 26 5
CONECT 27 6
CONECT 28 7
CONECT 29 10
CONECT 30 10
CONECT 31 11
CONECT 32 11
CONECT 33 14
CONECT 34 14
CONECT 35 14
CONECT 36 15
CONECT 37 15
CONECT 38 15
CONECT 39 16
CONECT 40 16
CONECT 41 16
CONECT 42 2
CONECT 43 3
CONECT 44 18
CONECT 45 20
CONECT 46 21
CONECT 47 21
CONECT 48 4
CONECT 49 22
CONECT 50 22
CONECT 51 23
CONECT 52 23
CONECT 53 24
CONECT 54 24
CONECT 55 25
CONECT 56 25
CONECT 57 25
MASTER 0 0 0 0 0 0 0 0 57 0 57 0
END