HEADER Model coordinates for PDB-CCD PW9 COMPND PW9 AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 O1 PW9 A 1 -1.502 22.060 21.801 1.00 20.00 O HETATM 2 O10 PW9 A 1 -3.903 23.783 21.304 1.00 20.00 O HETATM 3 O11 PW9 A 1 1.139 22.206 22.248 1.00 20.00 O HETATM 4 O12 PW9 A 1 -0.339 23.518 17.531 1.00 20.00 O HETATM 5 O13 PW9 A 1 -0.514 17.674 24.325 1.00 20.00 O HETATM 6 O14 PW9 A 1 -5.493 19.362 23.511 1.00 20.00 O HETATM 7 O15 PW9 A 1 -0.328 19.951 23.006 1.00 20.00 O HETATM 8 O16 PW9 A 1 -5.561 19.467 20.690 1.00 20.00 O HETATM 9 O17 PW9 A 1 1.332 19.786 20.703 1.00 20.00 O HETATM 10 O18 PW9 A 1 -2.379 21.533 16.987 1.00 20.00 O HETATM 11 O1E PW9 A 1 -2.577 16.169 17.284 1.00 20.00 O HETATM 12 O2 PW9 A 1 -2.673 19.079 23.184 1.00 20.00 O HETATM 13 O20 PW9 A 1 0.323 20.776 17.387 1.00 20.00 O HETATM 14 O21 PW9 A 1 -3.321 20.031 20.355 1.00 20.00 O HETATM 15 O22 PW9 A 1 -0.922 19.177 20.778 1.00 20.00 O HETATM 16 O23 PW9 A 1 0.335 17.562 21.905 1.00 20.00 O HETATM 17 O2E PW9 A 1 -1.334 19.129 15.858 1.00 20.00 O HETATM 18 O3 PW9 A 1 -4.009 21.334 22.350 1.00 20.00 O HETATM 19 O4 PW9 A 1 -1.608 19.917 18.421 1.00 20.00 O HETATM 20 O5 PW9 A 1 2.712 17.584 20.391 1.00 20.00 O HETATM 21 O7 PW9 A 1 -4.700 21.992 19.734 1.00 20.00 O HETATM 22 O8 PW9 A 1 -2.393 22.777 19.196 1.00 20.00 O HETATM 23 O8E PW9 A 1 -4.501 16.378 19.499 1.00 20.00 O HETATM 24 O9 PW9 A 1 0.189 21.867 19.721 1.00 20.00 O HETATM 25 O9E PW9 A 1 -1.846 15.605 19.832 1.00 20.00 O HETATM 26 P1 PW9 A 1 -2.104 19.153 19.585 1.00 20.00 P HETATM 27 W1 PW9 A 1 -0.912 22.131 18.141 1.00 20.00 W HETATM 28 W1E PW9 A 1 -3.301 16.153 20.995 1.00 20.00 W HETATM 29 W2 PW9 A 1 -3.216 22.258 20.826 1.00 20.00 W HETATM 30 W3 PW9 A 1 0.128 21.204 21.418 1.00 20.00 W HETATM 31 W3E PW9 A 1 -0.987 16.030 18.281 1.00 20.00 W HETATM 32 W4 PW9 A 1 -4.404 19.273 22.261 1.00 20.00 W HETATM 33 W5 PW9 A 1 -1.071 18.219 22.841 1.00 20.00 W HETATM 34 W5E PW9 A 1 0.219 19.003 16.858 1.00 20.00 W HETATM 35 W6 PW9 A 1 1.224 18.082 20.153 1.00 20.00 W HETATM 36 O11E PW9 A 1 -0.483 14.560 17.729 1.00 20.00 O HETATM 37 O12E PW9 A 1 -3.820 14.743 21.601 1.00 20.00 O HETATM 38 O13E PW9 A 1 1.469 18.983 15.736 1.00 20.00 O HETATM 39 O15E PW9 A 1 -0.112 17.145 16.772 1.00 20.00 O HETATM 40 O17E PW9 A 1 0.486 16.587 19.500 1.00 20.00 O HETATM 41 O18E PW9 A 1 -4.426 17.572 21.741 1.00 20.00 O HETATM 42 O19E PW9 A 1 -2.533 17.765 19.488 1.00 20.00 O HETATM 43 O20E PW9 A 1 -1.798 16.640 22.196 1.00 20.00 O HETATM 44 O23E PW9 A 1 1.342 18.863 18.279 1.00 20.00 O CONECT 1 29 30 CONECT 2 29 CONECT 3 30 CONECT 4 27 CONECT 5 33 CONECT 6 32 CONECT 7 30 33 CONECT 8 32 CONECT 9 30 35 CONECT 10 27 CONECT 11 31 CONECT 12 32 33 CONECT 13 27 34 CONECT 14 26 29 32 CONECT 15 26 30 33 35 CONECT 16 33 35 CONECT 17 34 CONECT 18 29 32 CONECT 19 26 27 34 CONECT 20 35 CONECT 21 29 CONECT 22 27 29 CONECT 23 28 CONECT 24 27 30 CONECT 25 28 31 CONECT 26 42 CONECT 28 37 41 42 43 CONECT 31 36 39 40 42 CONECT 32 41 CONECT 33 43 CONECT 34 38 39 44 CONECT 35 40 44 END