HEADER Model coordinates for PDB-CCD ADP COMPND ADP AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 PB ADP A 1 44.669 2.928 38.556 1.00 20.00 P HETATM 2 O1B ADP A 1 46.021 3.508 38.317 1.00 20.00 O HETATM 3 O2B ADP A 1 43.709 3.812 37.905 1.00 20.00 O HETATM 4 O3B ADP A 1 44.459 1.449 38.382 1.00 20.00 O HETATM 5 PA ADP A 1 43.230 2.955 41.110 1.00 20.00 P HETATM 6 O1A ADP A 1 41.975 3.497 40.573 1.00 20.00 O HETATM 7 O2A ADP A 1 42.962 1.501 41.401 1.00 20.00 O HETATM 8 O3A ADP A 1 44.522 3.210 40.212 1.00 20.00 O HETATM 9 O5' ADP A 1 43.462 3.832 42.407 1.00 20.00 O HETATM 10 C5' ADP A 1 43.735 5.246 42.335 1.00 20.00 C HETATM 11 C4' ADP A 1 43.095 5.810 43.626 1.00 20.00 C HETATM 12 O4' ADP A 1 43.764 5.261 44.779 1.00 20.00 O HETATM 13 C3' ADP A 1 43.337 7.325 43.617 1.00 20.00 C HETATM 14 O3' ADP A 1 42.056 7.988 43.560 1.00 20.00 O HETATM 15 C2' ADP A 1 43.946 7.593 45.083 1.00 20.00 C HETATM 16 O2' ADP A 1 43.554 8.726 45.877 1.00 20.00 O HETATM 17 C1' ADP A 1 43.613 6.275 45.813 1.00 20.00 C HETATM 18 N9 ADP A 1 44.375 5.781 46.991 1.00 20.00 N HETATM 19 C8 ADP A 1 45.711 5.486 47.062 1.00 20.00 C HETATM 20 N7 ADP A 1 46.202 5.379 48.282 1.00 20.00 N HETATM 21 C5 ADP A 1 45.067 5.597 49.064 1.00 20.00 C HETATM 22 C6 ADP A 1 44.883 5.623 50.499 1.00 20.00 C HETATM 23 N6 ADP A 1 45.912 5.433 51.325 1.00 20.00 N HETATM 24 N1 ADP A 1 43.626 5.852 50.896 1.00 20.00 N HETATM 25 C2 ADP A 1 42.590 6.076 50.067 1.00 20.00 C HETATM 26 N3 ADP A 1 42.675 6.067 48.735 1.00 20.00 N HETATM 27 C4 ADP A 1 43.951 5.821 48.304 1.00 20.00 C HETATM 28 HOB2 ADP A 1 42.847 3.442 38.057 1.00 20.00 H HETATM 29 HOB3 ADP A 1 43.597 1.079 38.534 1.00 20.00 H HETATM 30 HOA2 ADP A 1 43.773 1.150 41.748 1.00 20.00 H HETATM 31 H5'1 ADP A 1 44.812 5.500 42.206 1.00 20.00 H HETATM 32 H5'2 ADP A 1 43.385 5.735 41.396 1.00 20.00 H HETATM 33 H4' ADP A 1 42.010 5.556 43.668 1.00 20.00 H HETATM 34 H3' ADP A 1 43.978 7.672 42.773 1.00 20.00 H HETATM 35 HO3' ADP A 1 42.205 8.926 43.554 1.00 20.00 H HETATM 36 H2' ADP A 1 45.014 7.879 44.941 1.00 20.00 H HETATM 37 HO2' ADP A 1 43.913 8.884 46.742 1.00 20.00 H HETATM 38 H1' ADP A 1 42.621 6.482 46.279 1.00 20.00 H HETATM 39 H8 ADP A 1 46.358 5.341 46.181 1.00 20.00 H HETATM 40 HN61 ADP A 1 45.782 5.451 52.336 1.00 20.00 H HETATM 41 HN62 ADP A 1 46.639 6.107 51.086 1.00 20.00 H HETATM 42 H2 ADP A 1 41.601 6.281 50.510 1.00 20.00 H CONECT 1 2 2 3 4 8 CONECT 3 28 CONECT 4 29 CONECT 5 6 6 7 8 9 CONECT 7 30 CONECT 9 10 CONECT 10 11 31 32 CONECT 11 12 13 33 CONECT 12 17 CONECT 13 14 15 34 CONECT 14 35 CONECT 15 16 17 36 CONECT 16 37 CONECT 17 18 38 CONECT 18 19 27 CONECT 19 20 20 39 CONECT 20 21 CONECT 21 22 27 27 CONECT 22 23 24 24 CONECT 23 40 41 CONECT 24 25 CONECT 25 26 26 42 CONECT 26 27 END