HEADER Ideal coordinates for PDB-CCD ADP COMPND ADP AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 PB ADP A 1 1.162 -0.221 -5.685 1.00 20.00 P HETATM 2 O1B ADP A 1 1.725 1.133 -5.492 1.00 20.00 O HETATM 3 O2B ADP A 1 2.190 -1.112 -6.546 1.00 20.00 O HETATM 4 O3B ADP A 1 -0.240 -0.113 -6.467 1.00 20.00 O HETATM 5 PA ADP A 1 -0.105 0.025 -3.446 1.00 20.00 P HETATM 6 O1A ADP A 1 0.476 1.376 -3.288 1.00 20.00 O HETATM 7 O2A ADP A 1 -1.487 0.129 -4.266 1.00 20.00 O HETATM 8 O3A ADP A 1 0.925 -0.913 -4.250 1.00 20.00 O HETATM 9 O5' ADP A 1 -0.389 -0.609 -1.994 1.00 20.00 O HETATM 10 C5' ADP A 1 -1.307 0.264 -1.333 1.00 20.00 C HETATM 11 C4' ADP A 1 -1.620 -0.284 0.059 1.00 20.00 C HETATM 12 O4' ADP A 1 -0.417 -0.348 0.857 1.00 20.00 O HETATM 13 C3' ADP A 1 -2.550 0.683 0.825 1.00 20.00 C HETATM 14 O3' ADP A 1 -3.907 0.245 0.739 1.00 20.00 O HETATM 15 C2' ADP A 1 -2.047 0.611 2.286 1.00 20.00 C HETATM 16 O2' ADP A 1 -3.080 0.129 3.148 1.00 20.00 O HETATM 17 C1' ADP A 1 -0.871 -0.388 2.227 1.00 20.00 C HETATM 18 N9 ADP A 1 0.201 0.031 3.132 1.00 20.00 N HETATM 19 C8 ADP A 1 1.231 0.870 2.827 1.00 20.00 C HETATM 20 N7 ADP A 1 2.000 1.027 3.865 1.00 20.00 N HETATM 21 C5 ADP A 1 1.509 0.305 4.902 1.00 20.00 C HETATM 22 C6 ADP A 1 1.910 0.087 6.231 1.00 20.00 C HETATM 23 N6 ADP A 1 3.044 0.697 6.738 1.00 20.00 N HETATM 24 N1 ADP A 1 1.171 -0.714 6.991 1.00 20.00 N HETATM 25 C2 ADP A 1 0.088 -1.300 6.516 1.00 20.00 C HETATM 26 N3 ADP A 1 -0.321 -1.130 5.277 1.00 20.00 N HETATM 27 C4 ADP A 1 0.353 -0.346 4.442 1.00 20.00 C HETATM 28 HOB2 ADP A 1 2.304 -0.664 -7.396 1.00 20.00 H HETATM 29 HOB3 ADP A 1 -0.572 -1.016 -6.571 1.00 20.00 H HETATM 30 HOA2 ADP A 1 -1.833 -0.770 -4.346 1.00 20.00 H HETATM 31 H5'1 ADP A 1 -2.227 0.330 -1.913 1.00 20.00 H HETATM 32 H5'2 ADP A 1 -0.862 1.255 -1.242 1.00 20.00 H HETATM 33 H4' ADP A 1 -2.078 -1.270 -0.015 1.00 20.00 H HETATM 34 H3' ADP A 1 -2.451 1.696 0.435 1.00 20.00 H HETATM 35 HO3' ADP A 1 -4.439 0.884 1.233 1.00 20.00 H HETATM 36 H2' ADP A 1 -1.699 1.589 2.618 1.00 20.00 H HETATM 37 HO2' ADP A 1 -3.807 0.764 3.094 1.00 20.00 H HETATM 38 H1' ADP A 1 -1.212 -1.391 2.485 1.00 20.00 H HETATM 39 H8 ADP A 1 1.387 1.335 1.865 1.00 20.00 H HETATM 40 HN61 ADP A 1 3.308 0.542 7.658 1.00 20.00 H HETATM 41 HN62 ADP A 1 3.577 1.277 6.172 1.00 20.00 H HETATM 42 H2 ADP A 1 -0.482 -1.944 7.169 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