HEADER Model coordinates for PDB-CCD PLM COMPND PLM AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 PLM A 1 -44.797 67.181 -6.007 1.00 20.00 C HETATM 2 O1 PLM A 1 -45.197 66.011 -6.150 1.00 20.00 O HETATM 3 O2 PLM A 1 -43.601 67.509 -6.162 1.00 20.00 O HETATM 4 C2 PLM A 1 -45.810 68.243 -5.609 1.00 20.00 C HETATM 5 C3 PLM A 1 -45.543 69.607 -6.238 1.00 20.00 C HETATM 6 C4 PLM A 1 -46.461 70.654 -5.622 1.00 20.00 C HETATM 7 C5 PLM A 1 -46.177 72.051 -6.141 1.00 20.00 C HETATM 8 C6 PLM A 1 -46.910 72.314 -7.437 1.00 20.00 C HETATM 9 C7 PLM A 1 -48.412 72.321 -7.219 1.00 20.00 C HETATM 10 C8 PLM A 1 -49.152 72.429 -8.534 1.00 20.00 C HETATM 11 C9 PLM A 1 -50.654 72.326 -8.324 1.00 20.00 C HETATM 12 CA PLM A 1 -51.400 72.369 -9.642 1.00 20.00 C HETATM 13 CB PLM A 1 -51.090 71.161 -10.508 1.00 20.00 C HETATM 14 CC PLM A 1 -51.661 71.343 -11.904 1.00 20.00 C HETATM 15 CD PLM A 1 -51.577 70.068 -12.725 1.00 20.00 C HETATM 16 CE PLM A 1 -51.979 70.319 -14.179 1.00 20.00 C HETATM 17 CF PLM A 1 -53.353 70.967 -14.294 1.00 20.00 C HETATM 18 CG PLM A 1 -53.698 71.281 -15.743 1.00 20.00 C HETATM 19 H PLM A 1 -46.106 65.761 -6.032 1.00 20.00 H HETATM 20 H21 PLM A 1 -46.847 67.901 -5.833 1.00 20.00 H HETATM 21 H22 PLM A 1 -45.877 68.327 -4.499 1.00 20.00 H HETATM 22 H31 PLM A 1 -44.469 69.897 -6.164 1.00 20.00 H HETATM 23 H32 PLM A 1 -45.628 69.578 -7.349 1.00 20.00 H HETATM 24 H41 PLM A 1 -47.532 70.382 -5.765 1.00 20.00 H HETATM 25 H42 PLM A 1 -46.415 70.622 -4.508 1.00 20.00 H HETATM 26 H51 PLM A 1 -46.408 72.827 -5.374 1.00 20.00 H HETATM 27 H52 PLM A 1 -45.082 72.234 -6.245 1.00 20.00 H HETATM 28 H61 PLM A 1 -46.560 73.254 -7.924 1.00 20.00 H HETATM 29 H62 PLM A 1 -46.612 71.590 -8.232 1.00 20.00 H HETATM 30 H71 PLM A 1 -48.745 71.434 -6.631 1.00 20.00 H HETATM 31 H72 PLM A 1 -48.720 73.122 -6.507 1.00 20.00 H HETATM 32 H81 PLM A 1 -48.876 73.358 -9.085 1.00 20.00 H HETATM 33 H82 PLM A 1 -48.787 71.678 -9.273 1.00 20.00 H HETATM 34 H91 PLM A 1 -50.922 71.420 -7.731 1.00 20.00 H HETATM 35 H92 PLM A 1 -51.022 73.107 -7.619 1.00 20.00 H HETATM 36 HA1 PLM A 1 -52.497 72.482 -9.482 1.00 20.00 H HETATM 37 HA2 PLM A 1 -51.202 73.320 -10.188 1.00 20.00 H HETATM 38 HB1 PLM A 1 -49.997 70.939 -10.533 1.00 20.00 H HETATM 39 HB2 PLM A 1 -51.441 70.213 -10.037 1.00 20.00 H HETATM 40 HC1 PLM A 1 -52.705 71.731 -11.866 1.00 20.00 H HETATM 41 HC2 PLM A 1 -51.174 72.196 -12.431 1.00 20.00 H HETATM 42 HD1 PLM A 1 -50.567 69.600 -12.653 1.00 20.00 H HETATM 43 HD2 PLM A 1 -52.178 69.246 -12.269 1.00 20.00 H HETATM 44 HE1 PLM A 1 -51.205 70.917 -14.713 1.00 20.00 H HETATM 45 HE2 PLM A 1 -51.924 69.381 -14.779 1.00 20.00 H HETATM 46 HF1 PLM A 1 -54.141 70.342 -13.812 1.00 20.00 H HETATM 47 HF2 PLM A 1 -53.433 71.872 -13.649 1.00 20.00 H HETATM 48 HG1 PLM A 1 -54.703 71.755 -15.827 1.00 20.00 H HETATM 49 HG2 PLM A 1 -52.909 71.905 -16.225 1.00 20.00 H HETATM 50 HG3 PLM A 1 -53.617 70.375 -16.388 1.00 20.00 H CONECT 1 2 3 3 4 CONECT 2 19 CONECT 4 5 20 21 CONECT 5 6 22 23 CONECT 6 7 24 25 CONECT 7 8 26 27 CONECT 8 9 28 29 CONECT 9 10 30 31 CONECT 10 11 32 33 CONECT 11 12 34 35 CONECT 12 13 36 37 CONECT 13 14 38 39 CONECT 14 15 40 41 CONECT 15 16 42 43 CONECT 16 17 44 45 CONECT 17 18 46 47 CONECT 18 48 49 50 END