HEADER Model coordinates for PDB-CCD ATP COMPND ATP AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 PG ATP A 1 46.107 45.182 56.950 1.00 20.00 P HETATM 2 O1G ATP A 1 45.779 46.330 56.052 1.00 20.00 O HETATM 3 O2G ATP A 1 47.382 44.497 56.626 1.00 20.00 O HETATM 4 O3G ATP A 1 45.972 45.530 58.375 1.00 20.00 O HETATM 5 PB ATP A 1 43.911 43.740 55.655 1.00 20.00 P HETATM 6 O1B ATP A 1 42.975 42.722 55.986 1.00 20.00 O HETATM 7 O2B ATP A 1 43.603 44.767 54.678 1.00 20.00 O HETATM 8 O3B ATP A 1 45.041 44.015 56.738 1.00 20.00 O HETATM 9 PA ATP A 1 45.228 42.669 53.257 1.00 20.00 P HETATM 10 O1A ATP A 1 46.380 43.396 52.788 1.00 20.00 O HETATM 11 O2A ATP A 1 44.183 42.190 52.351 1.00 20.00 O HETATM 12 O3A ATP A 1 44.917 42.716 54.789 1.00 20.00 O HETATM 13 O5' ATP A 1 46.172 41.568 53.302 1.00 20.00 O HETATM 14 C5' ATP A 1 46.609 40.422 53.542 1.00 20.00 C HETATM 15 C4' ATP A 1 46.520 38.989 53.364 1.00 20.00 C HETATM 16 O4' ATP A 1 46.785 38.908 51.948 1.00 20.00 O HETATM 17 C3' ATP A 1 47.808 38.874 54.112 1.00 20.00 C HETATM 18 O3' ATP A 1 47.713 38.357 55.423 1.00 20.00 O HETATM 19 C2' ATP A 1 48.719 38.116 53.139 1.00 20.00 C HETATM 20 O2' ATP A 1 48.632 36.737 53.425 1.00 20.00 O HETATM 21 C1' ATP A 1 48.133 38.409 51.721 1.00 20.00 C HETATM 22 N9 ATP A 1 48.846 39.464 50.986 1.00 20.00 N HETATM 23 C8 ATP A 1 48.616 40.842 50.945 1.00 20.00 C HETATM 24 N7 ATP A 1 49.425 41.489 50.165 1.00 20.00 N HETATM 25 C5 ATP A 1 50.232 40.470 49.664 1.00 20.00 C HETATM 26 C6 ATP A 1 51.308 40.466 48.731 1.00 20.00 C HETATM 27 N6 ATP A 1 51.721 41.568 48.129 1.00 20.00 N HETATM 28 N1 ATP A 1 51.912 39.274 48.447 1.00 20.00 N HETATM 29 C2 ATP A 1 51.493 38.151 49.029 1.00 20.00 C HETATM 30 N3 ATP A 1 50.491 38.016 49.900 1.00 20.00 N HETATM 31 C4 ATP A 1 49.892 39.253 50.171 1.00 20.00 C HETATM 32 HOG2 ATP A 1 47.590 43.767 57.197 1.00 20.00 H HETATM 33 HOG3 ATP A 1 46.180 44.800 58.946 1.00 20.00 H HETATM 34 HOB2 ATP A 1 44.228 45.447 54.456 1.00 20.00 H HETATM 35 HOA2 ATP A 1 43.423 41.710 52.660 1.00 20.00 H HETATM 36 H5'1 ATP A 1 47.666 40.570 53.221 1.00 20.00 H HETATM 37 H5'2 ATP A 1 46.587 40.459 54.656 1.00 20.00 H HETATM 38 H4' ATP A 1 45.665 38.327 53.639 1.00 20.00 H HETATM 39 H3' ATP A 1 48.234 39.870 54.375 1.00 20.00 H HETATM 40 HO3' ATP A 1 48.532 38.283 55.898 1.00 20.00 H HETATM 41 H2' ATP A 1 49.788 38.422 53.212 1.00 20.00 H HETATM 42 HO2' ATP A 1 49.196 36.267 52.822 1.00 20.00 H HETATM 43 H1' ATP A 1 48.203 37.474 51.117 1.00 20.00 H HETATM 44 H8 ATP A 1 47.836 41.390 51.499 1.00 20.00 H HETATM 45 HN61 ATP A 1 52.491 41.565 47.460 1.00 20.00 H HETATM 46 HN62 ATP A 1 51.940 42.252 48.852 1.00 20.00 H HETATM 47 H2 ATP A 1 52.036 37.229 48.759 1.00 20.00 H CONECT 1 2 2 3 4 8 CONECT 3 32 CONECT 4 33 CONECT 5 6 6 7 8 12 CONECT 7 34 CONECT 9 10 10 11 12 13 CONECT 11 35 CONECT 13 14 CONECT 14 15 36 37 CONECT 15 16 17 38 CONECT 16 21 CONECT 17 18 19 39 CONECT 18 40 CONECT 19 20 21 41 CONECT 20 42 CONECT 21 22 43 CONECT 22 23 31 CONECT 23 24 24 44 CONECT 24 25 CONECT 25 26 31 31 CONECT 26 27 28 28 CONECT 27 45 46 CONECT 28 29 CONECT 29 30 30 47 CONECT 30 31 END