HEADER Ideal coordinates for PDB-CCD ACP COMPND ACP AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 PG ACP A 1 1.232 -0.258 -7.184 1.00 20.00 P HETATM 2 O1G ACP A 1 1.776 1.110 -7.046 1.00 20.00 O HETATM 3 O2G ACP A 1 2.162 -1.107 -8.188 1.00 20.00 O HETATM 4 O3G ACP A 1 -0.264 -0.184 -7.773 1.00 20.00 O HETATM 5 PB ACP A 1 0.150 -0.107 -4.415 1.00 20.00 P HETATM 6 O1B ACP A 1 -1.225 -0.039 -4.956 1.00 20.00 O HETATM 7 O2B ACP A 1 0.742 1.382 -4.265 1.00 20.00 O HETATM 8 C3B ACP A 1 1.203 -1.068 -5.551 1.00 20.00 C HETATM 9 PA ACP A 1 -0.817 0.074 -2.025 1.00 20.00 P HETATM 10 O1A ACP A 1 -2.178 0.139 -2.603 1.00 20.00 O HETATM 11 O2A ACP A 1 -0.209 1.560 -1.915 1.00 20.00 O HETATM 12 O3A ACP A 1 0.125 -0.822 -2.973 1.00 20.00 O HETATM 13 O5' ACP A 1 -0.888 -0.586 -0.558 1.00 20.00 O HETATM 14 C5' ACP A 1 -1.735 0.251 0.230 1.00 20.00 C HETATM 15 C4' ACP A 1 -1.846 -0.323 1.644 1.00 20.00 C HETATM 16 O4' ACP A 1 -0.547 -0.360 2.275 1.00 20.00 O HETATM 17 C3' ACP A 1 -2.694 0.605 2.540 1.00 20.00 C HETATM 18 O3' ACP A 1 -4.037 0.127 2.628 1.00 20.00 O HETATM 19 C2' ACP A 1 -2.000 0.532 3.921 1.00 20.00 C HETATM 20 O2' ACP A 1 -2.896 0.008 4.904 1.00 20.00 O HETATM 21 C1' ACP A 1 -0.814 -0.430 3.692 1.00 20.00 C HETATM 22 N9 ACP A 1 0.355 0.011 4.455 1.00 20.00 N HETATM 23 C8 ACP A 1 1.312 0.885 4.030 1.00 20.00 C HETATM 24 N7 ACP A 1 2.206 1.052 4.960 1.00 20.00 N HETATM 25 C5 ACP A 1 1.878 0.304 6.041 1.00 20.00 C HETATM 26 C6 ACP A 1 2.456 0.082 7.302 1.00 20.00 C HETATM 27 N6 ACP A 1 3.629 0.721 7.665 1.00 20.00 N HETATM 28 N1 ACP A 1 1.848 -0.750 8.140 1.00 20.00 N HETATM 29 C2 ACP A 1 0.729 -1.363 7.803 1.00 20.00 C HETATM 30 N3 ACP A 1 0.154 -1.191 6.631 1.00 20.00 N HETATM 31 C4 ACP A 1 0.689 -0.377 5.727 1.00 20.00 C HETATM 32 HOG2 ACP A 1 2.150 -0.645 -9.038 1.00 20.00 H HETATM 33 HOG3 ACP A 1 -0.581 -1.094 -7.847 1.00 20.00 H HETATM 34 HOB2 ACP A 1 1.637 1.292 -3.910 1.00 20.00 H HETATM 35 H3B1 ACP A 1 2.216 -1.118 -5.153 1.00 20.00 H HETATM 36 H3B2 ACP A 1 0.802 -2.076 -5.653 1.00 20.00 H HETATM 37 HOA2 ACP A 1 0.675 1.473 -1.535 1.00 20.00 H HETATM 38 H5'1 ACP A 1 -2.726 0.296 -0.221 1.00 20.00 H HETATM 39 H5'2 ACP A 1 -1.312 1.254 0.278 1.00 20.00 H HETATM 40 H4' ACP A 1 -2.281 -1.322 1.614 1.00 20.00 H HETATM 41 H3' ACP A 1 -2.676 1.626 2.157 1.00 20.00 H HETATM 42 HO3' ACP A 1 -4.517 0.745 3.197 1.00 20.00 H HETATM 43 H2' ACP A 1 -1.640 1.516 4.220 1.00 20.00 H HETATM 44 HO2' ACP A 1 -3.642 0.621 4.957 1.00 20.00 H HETATM 45 H1' ACP A 1 -1.090 -1.446 3.977 1.00 20.00 H HETATM 46 H8 ACP A 1 1.326 1.366 3.063 1.00 20.00 H HETATM 47 HN61 ACP A 1 4.017 0.563 8.540 1.00 20.00 H HETATM 48 HN62 ACP A 1 4.066 1.323 7.043 1.00 20.00 H HETATM 49 H2 ACP A 1 0.267 -2.032 8.514 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 8 35 36 CONECT 9 10 10 11 12 13 CONECT 11 37 CONECT 13 14 CONECT 14 15 38 39 CONECT 15 16 17 40 CONECT 16 21 CONECT 17 18 19 41 CONECT 18 42 CONECT 19 20 21 43 CONECT 20 44 CONECT 21 22 45 CONECT 22 23 31 CONECT 23 24 24 46 CONECT 24 25 CONECT 25 26 31 31 CONECT 26 27 28 28 CONECT 27 47 48 CONECT 28 29 CONECT 29 30 30 49 CONECT 30 31 END