HEADER Ideal coordinates for PDB-CCD ATP COMPND ATP AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 PG ATP A 1 1.200 -0.226 -6.850 1.00 20.00 P HETATM 2 O1G ATP A 1 1.740 1.140 -6.672 1.00 20.00 O HETATM 3 O2G ATP A 1 2.123 -1.036 -7.891 1.00 20.00 O HETATM 4 O3G ATP A 1 -0.302 -0.139 -7.421 1.00 20.00 O HETATM 5 PB ATP A 1 0.255 -0.130 -4.446 1.00 20.00 P HETATM 6 O1B ATP A 1 0.810 1.234 -4.304 1.00 20.00 O HETATM 7 O2B ATP A 1 -1.231 -0.044 -5.057 1.00 20.00 O HETATM 8 O3B ATP A 1 1.192 -0.990 -5.433 1.00 20.00 O HETATM 9 PA ATP A 1 -0.745 0.068 -2.071 1.00 20.00 P HETATM 10 O1A ATP A 1 -2.097 0.143 -2.669 1.00 20.00 O HETATM 11 O2A ATP A 1 -0.125 1.549 -1.957 1.00 20.00 O HETATM 12 O3A ATP A 1 0.203 -0.840 -3.002 1.00 20.00 O HETATM 13 O5' ATP A 1 -0.844 -0.587 -0.604 1.00 20.00 O HETATM 14 C5' ATP A 1 -1.694 0.260 0.170 1.00 20.00 C HETATM 15 C4' ATP A 1 -1.831 -0.309 1.584 1.00 20.00 C HETATM 16 O4' ATP A 1 -0.542 -0.355 2.234 1.00 20.00 O HETATM 17 C3' ATP A 1 -2.683 0.630 2.465 1.00 20.00 C HETATM 18 O3' ATP A 1 -4.033 0.165 2.534 1.00 20.00 O HETATM 19 C2' ATP A 1 -2.011 0.555 3.856 1.00 20.00 C HETATM 20 O2' ATP A 1 -2.926 0.043 4.827 1.00 20.00 O HETATM 21 C1' ATP A 1 -0.830 -0.418 3.647 1.00 20.00 C HETATM 22 N9 ATP A 1 0.332 0.015 4.425 1.00 20.00 N HETATM 23 C8 ATP A 1 1.302 0.879 4.012 1.00 20.00 C HETATM 24 N7 ATP A 1 2.184 1.042 4.955 1.00 20.00 N HETATM 25 C5 ATP A 1 1.833 0.300 6.033 1.00 20.00 C HETATM 26 C6 ATP A 1 2.391 0.077 7.303 1.00 20.00 C HETATM 27 N6 ATP A 1 3.564 0.706 7.681 1.00 20.00 N HETATM 28 N1 ATP A 1 1.763 -0.747 8.135 1.00 20.00 N HETATM 29 C2 ATP A 1 0.644 -1.352 7.783 1.00 20.00 C HETATM 30 N3 ATP A 1 0.088 -1.178 6.602 1.00 20.00 N HETATM 31 C4 ATP A 1 0.644 -0.371 5.704 1.00 20.00 C HETATM 32 HOG2 ATP A 1 2.100 -0.546 -8.725 1.00 20.00 H HETATM 33 HOG3 ATP A 1 -0.616 -1.048 -7.522 1.00 20.00 H HETATM 34 HOB2 ATP A 1 -1.554 -0.952 -5.132 1.00 20.00 H HETATM 35 HOA2 ATP A 1 0.752 1.455 -1.563 1.00 20.00 H HETATM 36 H5'1 ATP A 1 -2.678 0.312 -0.296 1.00 20.00 H HETATM 37 H5'2 ATP A 1 -1.263 1.259 0.221 1.00 20.00 H HETATM 38 H4' ATP A 1 -2.275 -1.304 1.550 1.00 20.00 H HETATM 39 H3' ATP A 1 -2.651 1.649 2.078 1.00 20.00 H HETATM 40 HO3' ATP A 1 -4.515 0.788 3.094 1.00 20.00 H HETATM 41 H2' ATP A 1 -1.646 1.537 4.157 1.00 20.00 H HETATM 42 HO2' ATP A 1 -3.667 0.662 4.867 1.00 20.00 H HETATM 43 H1' ATP A 1 -1.119 -1.430 3.931 1.00 20.00 H HETATM 44 H8 ATP A 1 1.334 1.357 3.044 1.00 20.00 H HETATM 45 HN61 ATP A 1 3.938 0.548 8.562 1.00 20.00 H HETATM 46 HN62 ATP A 1 4.015 1.303 7.064 1.00 20.00 H HETATM 47 H2 ATP A 1 0.166 -2.014 8.490 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