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ligand1.pdb
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ligand1.pdb
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COMPND CCOC(=O)c1ccccc1
AUTHOR GENERATED BY OPEN BABEL 3.1.0
HETATM 1 C UNL 1 9.204 -3.694 28.363 1.00 0.00 C
HETATM 2 C UNL 1 9.638 -2.277 28.027 1.00 0.00 C
HETATM 3 O UNL 1 10.180 -2.283 26.700 1.00 0.00 O
HETATM 4 C UNL 1 10.656 -1.091 26.262 1.00 0.00 C
HETATM 5 O UNL 1 10.704 -0.055 26.905 1.00 0.00 O
HETATM 6 C UNL 1 11.242 -1.246 24.906 1.00 0.00 C
HETATM 7 C UNL 1 11.968 -0.168 24.378 1.00 0.00 C
HETATM 8 C UNL 1 12.609 -0.292 23.145 1.00 0.00 C
HETATM 9 C UNL 1 12.525 -1.487 22.431 1.00 0.00 C
HETATM 10 C UNL 1 11.796 -2.560 22.943 1.00 0.00 C
HETATM 11 C UNL 1 11.153 -2.441 24.177 1.00 0.00 C
HETATM 12 H UNL 1 8.794 -3.717 29.351 1.00 0.00 H
HETATM 13 H UNL 1 10.050 -4.348 28.312 1.00 0.00 H
HETATM 14 H UNL 1 8.462 -4.016 27.662 1.00 0.00 H
HETATM 15 H UNL 1 10.383 -1.951 28.722 1.00 0.00 H
HETATM 16 H UNL 1 8.804 -1.609 28.085 1.00 0.00 H
HETATM 17 H UNL 1 12.027 0.719 24.902 1.00 0.00 H
HETATM 18 H UNL 1 13.146 0.502 22.761 1.00 0.00 H
HETATM 19 H UNL 1 13.004 -1.577 21.521 1.00 0.00 H
HETATM 20 H UNL 1 11.732 -3.442 22.411 1.00 0.00 H
HETATM 21 H UNL 1 10.610 -3.235 24.553 1.00 0.00 H
CONECT 1 2 12 13 14
CONECT 2 1 3 15 16
CONECT 3 2 4
CONECT 4 3 5 5 6
CONECT 5 4 4
CONECT 6 4 7 7 11
CONECT 7 6 6 8 17
CONECT 8 7 9 9 18
CONECT 9 8 8 10 19
CONECT 10 9 11 11 20
CONECT 11 6 10 10 21
CONECT 12 1
CONECT 13 1
CONECT 14 1
CONECT 15 2
CONECT 16 2
CONECT 17 7
CONECT 18 8
CONECT 19 9
CONECT 20 10
CONECT 21 11
MASTER 0 0 0 0 0 0 0 0 21 0 21 0
END