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lig_conf_2.pdb
68 lines (68 loc) · 2.65 KB
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lig_conf_2.pdb
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HETATM 1 C1 <0> 1 50.413 23.301 45.594 0.00 0.00 C
HETATM 2 O1 <0> 1 53.218 25.741 49.174 0.00 0.00 O1-
HETATM 3 C2 <0> 1 50.550 24.302 43.288 0.00 0.00 C
HETATM 4 O2 <0> 1 54.579 24.573 43.900 0.00 0.00 O1-
HETATM 5 C3 <0> 1 51.621 23.806 45.888 0.00 0.00 C
HETATM 6 O3 <0> 1 54.537 25.980 47.007 0.00 0.00 O
HETATM 7 C4 <0> 1 51.758 24.809 43.577 0.00 0.00 C
HETATM 8 O4 <0> 1 51.279 25.713 47.975 0.00 0.00 O
HETATM 9 C5 <0> 1 53.327 25.920 46.839 0.00 0.00 C
HETATM 10 O5 <0> 1 54.032 22.931 45.397 0.00 0.00 O
HETATM 11 C6 <0> 1 52.536 25.779 48.109 0.00 0.00 C
HETATM 12 O6 <0> 1 49.490 22.219 43.676 0.00 0.00 O
HETATM 13 C7 <0> 1 53.823 23.972 44.713 0.00 0.00 C
HETATM 14 C8 <0> 1 49.744 23.493 44.262 0.00 0.00 C
HETATM 15 C9 <0> 1 52.443 24.595 44.902 0.00 0.00 C
HETATM 16 C10 <0> 1 52.616 25.978 45.512 0.00 0.00 C
HETATM 17 H1 <0> 1 49.878 22.735 46.351 0.00 0.00 H
HETATM 18 H2 <0> 1 50.119 24.491 42.309 0.00 0.00 H
HETATM 19 H3 <0> 1 52.035 23.627 46.877 0.00 0.00 H
HETATM 20 H4 <0> 1 52.277 25.389 42.817 0.00 0.00 H
HETATM 21 H5 <0> 1 48.778 23.985 44.418 0.00 0.00 H
HETATM 22 H6 <0> 1 51.631 26.428 45.660 0.00 0.00 H
HETATM 23 H7 <0> 1 53.196 26.601 44.828 0.00 0.00 H
HETATM 24 H8 <0> 1 50.118 21.599 44.079 0.00 0.00 H
CONECT 1 5
CONECT 1 5
CONECT 1 14 17
CONECT 2 11
CONECT 3 7
CONECT 3 7
CONECT 3 14 18
CONECT 4 13
CONECT 5 1
CONECT 5 1
CONECT 5 15 19
CONECT 6 9
CONECT 6 9
CONECT 7 3
CONECT 7 3
CONECT 7 15 20
CONECT 8 11
CONECT 8 11
CONECT 9 6
CONECT 9 6
CONECT 9 11 16
CONECT 10 13
CONECT 10 13
CONECT 11 2
CONECT 11 8
CONECT 11 8
CONECT 11 9
CONECT 12 14 24
CONECT 13 4
CONECT 13 10
CONECT 13 10
CONECT 13 15
CONECT 14 1 3 12 21
CONECT 15 5 7 13 16
CONECT 16 9 15 22 23
CONECT 17 1
CONECT 18 3
CONECT 19 5
CONECT 20 7
CONECT 21 14
CONECT 22 16
CONECT 23 16
CONECT 24 12
END